#METABOLOMICS WORKBENCH jkvist_20241008_010833 DATATRACK_ID:5269 STUDY_ID:ST003523 ANALYSIS_ID:AN005786 PROJECT_ID:PR002167 VERSION 1 CREATED_ON October 17, 2024, 6:03 pm #PROJECT PR:PROJECT_TITLE Hypermetabolism induced pantothenate depletion in MT-ATP6 neuropathy PR:PROJECT_SUMMARY Mitochondrial DNA mutations frequently result in mitochondrial dysfunction and PR:PROJECT_SUMMARY energy deficits, compromising cellular and tissue functions. However, in some PR:PROJECT_SUMMARY cases, bioenergetic deficits triggers a futile cycle of energy production and PR:PROJECT_SUMMARY consumption to maintain cellular function, a phenomenon termed hypermetabolism. PR:PROJECT_SUMMARY In this study, we used patient iPSC-derived motor neurons to investigate a PR:PROJECT_SUMMARY truncating heteroplasmic mutation in the MT-ATP6 gene, which encodes a subunit PR:PROJECT_SUMMARY of the proton pore of the ATP synthase. We successfully generated motor neurons PR:PROJECT_SUMMARY with 50% mutation heteroplasmy, despite adverse effects on ATP synthase PR:PROJECT_SUMMARY assembly. Through a combination of respirometry, metabolomic tracing, and PR:PROJECT_SUMMARY proteomic analysis, we observed increased metabolic activity in mutant motor PR:PROJECT_SUMMARY neurons, indicative of a hypermetabolic phenotype. This is the first study to PR:PROJECT_SUMMARY explore hypermetabolism in neurons, revealing new significant implications of PR:PROJECT_SUMMARY this state. This hypermetabolic state Hypermetabolism led to the PR:PROJECT_SUMMARY reprioritization of the core metabolite acetyl-CoA and depletion of its PR:PROJECT_SUMMARY precursor, resulting in the downregulation . We also observed the downregulation PR:PROJECT_SUMMARY of epigenetic and SUMOylation pathways, likely as compensatory and adaptive PR:PROJECT_SUMMARY mechanisms. Our findings suggest a link between mitochondrial dysfunction and PR:PROJECT_SUMMARY SUMOylation, highlighting a potential new contributor to the mitochondrial PR:PROJECT_SUMMARY hypermetabolic phenotype. PR:INSTITUTE University of Helsinki PR:DEPARTMENT Faculty of Medicine PR:LABORATORY Tyynismaa lab PR:LAST_NAME Torregrosa-Muñumer PR:FIRST_NAME Rubén PR:ADDRESS Biomedicum Helsinki, Haartmaninkatu 8, 00290 Helsinki, Finland PR:EMAIL ruben.torregrosa@helsinki.fi PR:PHONE +358294125800 PR:FUNDING_SOURCE Academy of Finland Centre of Excellence on Stem Cell Metabolism (MetaStem), PR:FUNDING_SOURCE Academy of Finland Postdoctoral fellowship to RTM, and Sigrid Juselius PR:FUNDING_SOURCE Foundation. PR:CONTRIBUTORS Rubén Torregrosa-Muñumer, Jeremi Turkia, Jouni Kvist, Jana Pennonen, Emilia PR:CONTRIBUTORS Kuuluvainen, Pekka Katajisto, Ville Hietakangas, Emil Ylikallio, Henna Tyynismaa #STUDY ST:STUDY_TITLE Hypermetabolism induced pantothenate depletion in MT-ATP6 neuropathy ST:STUDY_SUMMARY Mitochondrial DNA mutations frequently result in mitochondrial dysfunction and ST:STUDY_SUMMARY energy deficits, compromising cellular and tissue functions. However, in some ST:STUDY_SUMMARY cases, bioenergetic deficits triggers a futile cycle of energy production and ST:STUDY_SUMMARY consumption to maintain cellular function, a phenomenon termed hypermetabolism. ST:STUDY_SUMMARY In this study, we used patient iPSC-derived motor neurons to investigate a ST:STUDY_SUMMARY truncating heteroplasmic mutation in the MT-ATP6 gene, which encodes a subunit ST:STUDY_SUMMARY of the proton pore of the ATP synthase. We successfully generated motor neurons ST:STUDY_SUMMARY with 50% mutation heteroplasmy, despite adverse effects on ATP synthase ST:STUDY_SUMMARY assembly. Through a combination of respirometry, metabolomic tracing, and ST:STUDY_SUMMARY proteomic analysis, we observed increased metabolic activity in mutant motor ST:STUDY_SUMMARY neurons, indicative of a hypermetabolic phenotype. This is the first study to ST:STUDY_SUMMARY explore hypermetabolism in neurons, revealing new significant implications of ST:STUDY_SUMMARY this state. This hypermetabolic state Hypermetabolism led to the ST:STUDY_SUMMARY reprioritization of the core metabolite acetyl-CoA and depletion of its ST:STUDY_SUMMARY precursor, resulting in the downregulation . We also observed the downregulation ST:STUDY_SUMMARY of epigenetic and SUMOylation pathways, likely as compensatory and adaptive ST:STUDY_SUMMARY mechanisms. Our findings suggest a link between mitochondrial dysfunction and ST:STUDY_SUMMARY SUMOylation, highlighting a potential new contributor to the mitochondrial ST:STUDY_SUMMARY hypermetabolic phenotype. ST:INSTITUTE University of Helsinki ST:LAST_NAME Torregrosa-Muñumer ST:FIRST_NAME Rubén ST:ADDRESS Biomedicum Helsinki, Haartmaninkatu 8, 00290 Helsinki, Finland ST:EMAIL ruben.torregrosa@helsinki.fi ST:PHONE +358294125800 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Not applicable #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - WT_73_1h_1 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=73; RAW_FILE_NAME(Raw file name)=01_1h_GLU_73_1_Ruben_set140322023_Glucose_RERUN.raw SUBJECT_SAMPLE_FACTORS - WT_73_1h_2 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=73; RAW_FILE_NAME(Raw file name)=02_1h_GLU_73_2.raw SUBJECT_SAMPLE_FACTORS - WT_73_1h_3 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=73; RAW_FILE_NAME(Raw file name)=03_1h_GLU_73_3.raw SUBJECT_SAMPLE_FACTORS - WT_73_1h_4 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=73; RAW_FILE_NAME(Raw file name)=04_1h_GLU_73_4.raw SUBJECT_SAMPLE_FACTORS - WT_73_1h_5 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=73; RAW_FILE_NAME(Raw file name)=05_1h_GLU_73_5.raw SUBJECT_SAMPLE_FACTORS - WT_73_1h_6 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=73; RAW_FILE_NAME(Raw file name)=06_1h_GLU_73_6.raw SUBJECT_SAMPLE_FACTORS - WT_73_12h_1 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=73; RAW_FILE_NAME(Raw file name)=07_12h_GLU_73_1.raw SUBJECT_SAMPLE_FACTORS - WT_73_12h_2 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=73; RAW_FILE_NAME(Raw file name)=08_12h_GLU73_2.raw SUBJECT_SAMPLE_FACTORS - WT_73_12h_3 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=73; RAW_FILE_NAME(Raw file name)=09_12h_GLU_73_3.raw SUBJECT_SAMPLE_FACTORS - WT_73_12h_4 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=73; RAW_FILE_NAME(Raw file name)=10_12h_GLU_73_4.raw SUBJECT_SAMPLE_FACTORS - WT_73_12h_5 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=73; RAW_FILE_NAME(Raw file name)=11_12h_GLU_73_5.raw SUBJECT_SAMPLE_FACTORS - WT_73_12h_6 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=73; RAW_FILE_NAME(Raw file name)=12_12h_GLU_73_6.raw SUBJECT_SAMPLE_FACTORS - WT_73_48h_1 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=73; RAW_FILE_NAME(Raw file name)=13_48h_GLU73_1.raw SUBJECT_SAMPLE_FACTORS - WT_73_48h_2 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=73; RAW_FILE_NAME(Raw file name)=14_48h_GLU_73_2.raw SUBJECT_SAMPLE_FACTORS - WT_73_48h_3 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=73; RAW_FILE_NAME(Raw file name)=15_48h_GLU_73_3.raw SUBJECT_SAMPLE_FACTORS - WT_73_48h_4 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=73; RAW_FILE_NAME(Raw file name)=16_48h_GLU_73_4.raw SUBJECT_SAMPLE_FACTORS - WT_73_48h_5 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=73; RAW_FILE_NAME(Raw file name)=17_48h_GLU73_5.raw SUBJECT_SAMPLE_FACTORS - WT_73_48h_6 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=73; RAW_FILE_NAME(Raw file name)=18_48h_GLU_73_6.raw SUBJECT_SAMPLE_FACTORS - WT_89_1h_1 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=89; RAW_FILE_NAME(Raw file name)=19_1h_GLU_89_1.raw SUBJECT_SAMPLE_FACTORS - WT_89_1h_2 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=89; RAW_FILE_NAME(Raw file name)=20_1h_GLU_89_2.raw SUBJECT_SAMPLE_FACTORS - WT_89_1h_3 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=89; RAW_FILE_NAME(Raw file name)=21_1h_GLU_89_3.raw SUBJECT_SAMPLE_FACTORS - WT_89_1h_4 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=89; RAW_FILE_NAME(Raw file name)=22_1h_GLU_89_4.raw SUBJECT_SAMPLE_FACTORS - WT_89_1h_5 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=89; RAW_FILE_NAME(Raw file name)=23_1h_GLU_89_5.raw SUBJECT_SAMPLE_FACTORS - WT_89_1h_6 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Cell line=89; RAW_FILE_NAME(Raw file name)=24_1h_GLU_89_6.raw SUBJECT_SAMPLE_FACTORS - WT_89_12h_1 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=89; RAW_FILE_NAME(Raw file name)=25_12h_GLU_89_1.raw SUBJECT_SAMPLE_FACTORS - WT_89_12h_2 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=89; RAW_FILE_NAME(Raw file name)=26_12h_GLU_89_2.raw SUBJECT_SAMPLE_FACTORS - WT_89_12h_3 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=89; RAW_FILE_NAME(Raw file name)=27_12h_GLU_89_3.raw SUBJECT_SAMPLE_FACTORS - WT_89_12h_4 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=89; RAW_FILE_NAME(Raw file name)=28_12h_GLU_89_4.raw SUBJECT_SAMPLE_FACTORS - WT_89_12h_5 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=89; RAW_FILE_NAME(Raw file name)=29_12h_GLU_89_5.raw SUBJECT_SAMPLE_FACTORS - WT_89_12h_6 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Cell line=89; RAW_FILE_NAME(Raw file name)=30_12h_GLU_89_6.raw SUBJECT_SAMPLE_FACTORS - WT_89_48h_1 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=89; RAW_FILE_NAME(Raw file name)=31_48h_GLU_89_1.raw SUBJECT_SAMPLE_FACTORS - WT_89_48h_2 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=89; RAW_FILE_NAME(Raw file name)=32_48h_GLU_89_2.raw SUBJECT_SAMPLE_FACTORS - WT_89_48h_3 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=89; RAW_FILE_NAME(Raw file name)=33_48h_GLU89_3.raw SUBJECT_SAMPLE_FACTORS - WT_89_48h_4 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=89; RAW_FILE_NAME(Raw file name)=34_48h_GLU89_4.raw SUBJECT_SAMPLE_FACTORS - WT_89_48h_5 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=89; RAW_FILE_NAME(Raw file name)=35_48h_GLU_89_5.raw SUBJECT_SAMPLE_FACTORS - WT_89_48h_6 Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Cell line=89; RAW_FILE_NAME(Raw file name)=36_48h_GLU_89_6.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_1h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Cell line=80; RAW_FILE_NAME(Raw file name)=37_1h_GLU_80_1.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_1h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Cell line=80; RAW_FILE_NAME(Raw file name)=38_1h_GLU_80_2.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_1h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Cell line=80; RAW_FILE_NAME(Raw file name)=39_1h_GLU_80_3.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_1h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Cell line=80; RAW_FILE_NAME(Raw file name)=40_1h_GLU_80_4.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_1h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Cell line=80; RAW_FILE_NAME(Raw file name)=41_1h_GLU_80_5.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_1h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Cell line=80; RAW_FILE_NAME(Raw file name)=42_1h_GLU_80_6.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_12h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Cell line=80; RAW_FILE_NAME(Raw file name)=43_12h_GLU_80_1.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_12h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Cell line=80; RAW_FILE_NAME(Raw file name)=44_12h_GLU_80_2.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_12h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Cell line=80; RAW_FILE_NAME(Raw file name)=45_12h_GLU_80_3.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_12h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Cell line=80; RAW_FILE_NAME(Raw file name)=46_12h_GLU_80_4.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_12h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Cell line=80; RAW_FILE_NAME(Raw file name)=47_12h_GLU_80_5.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_12h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Cell line=80; RAW_FILE_NAME(Raw file name)=48_12h_GLU_80_6.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_48h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Cell line=80; RAW_FILE_NAME(Raw file name)=49_48h_GLU_80_1.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_48h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Cell line=80; RAW_FILE_NAME(Raw file name)=50_48h_GLU_80_2.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_48h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Cell line=80; RAW_FILE_NAME(Raw file name)=51_48h_GLU80_3.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_48h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Cell line=80; RAW_FILE_NAME(Raw file name)=52_48h_GLU_80_4.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_48h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Cell line=80; RAW_FILE_NAME(Raw file name)=53_48h_GLU_80_5.raw SUBJECT_SAMPLE_FACTORS - MUT.49%_80_48h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Cell line=80; RAW_FILE_NAME(Raw file name)=54_48h_GLU_80_6.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_1h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Cell line=56; RAW_FILE_NAME(Raw file name)=55_1h_GLU_56_1.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_1h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Cell line=56; RAW_FILE_NAME(Raw file name)=56_1h_GLU_56_2.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_1h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Cell line=56; RAW_FILE_NAME(Raw file name)=57_1h_GLU_56_3.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_1h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Cell line=56; RAW_FILE_NAME(Raw file name)=58_1h_GLU_56_4.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_1h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Cell line=56; RAW_FILE_NAME(Raw file name)=59_1h_GLU_56_5.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_1h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Cell line=56; RAW_FILE_NAME(Raw file name)=60_1h_GLU_56_6.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_12h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Cell line=56; RAW_FILE_NAME(Raw file name)=61_12h_GLU_56_1.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_12h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Cell line=56; RAW_FILE_NAME(Raw file name)=62_12h_GLU_56_2.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_12h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Cell line=56; RAW_FILE_NAME(Raw file name)=63_12h_GLU_56_3.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_12h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Cell line=56; RAW_FILE_NAME(Raw file name)=64_12h_GLU_56_4.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_12h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Cell line=56; RAW_FILE_NAME(Raw file name)=65_12h_GLU_56_5.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_12h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Cell line=56; RAW_FILE_NAME(Raw file name)=66_12h_GLU_56_6.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_48h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Cell line=56; RAW_FILE_NAME(Raw file name)=67_48h_GLU_56_1.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_48h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Cell line=56; RAW_FILE_NAME(Raw file name)=68_48h_GLU_56_2.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_48h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Cell line=56; RAW_FILE_NAME(Raw file name)=69_48h_GLU_56_3.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_48h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Cell line=56; RAW_FILE_NAME(Raw file name)=70_48h_GLU_56_4.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_48h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Cell line=56; RAW_FILE_NAME(Raw file name)=71_48h_GLU_56_5.raw SUBJECT_SAMPLE_FACTORS - MUT.52%_56_48h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Cell line=56; RAW_FILE_NAME(Raw file name)=72_48h_GLU_56_6.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_1h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Cell line=84; RAW_FILE_NAME(Raw file name)=73_1h_GLU_84_1.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_1h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Cell line=84; RAW_FILE_NAME(Raw file name)=74_1h_GLU_84_2.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_1h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Cell line=84; RAW_FILE_NAME(Raw file name)=75_1h_GLU_84_3.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_1h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Cell line=84; RAW_FILE_NAME(Raw file name)=76_1h_GLU_84_4.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_1h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Cell line=84; RAW_FILE_NAME(Raw file name)=77_1h_GLU_84_5.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_1h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Cell line=84; RAW_FILE_NAME(Raw file name)=78_1h_GLU_84_6.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=79_12h_GLU_84_1.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=80_12h_GLU_84_2.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=81_12h_GLU_84_3.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=82_12h_GLU_84_4.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=83_12h_GLU_84_5.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_12h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Cell line=84; RAW_FILE_NAME(Raw file name)=84_12h_GLU_84_6.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_1 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=85_48h_GLU_84_1.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_2 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=86_48h_GLU_84_2.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_3 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=87_48h_GLU_84_3.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_4 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=88_48h_GLU_84_4.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_5 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=89_48h_GLU_84_5.raw SUBJECT_SAMPLE_FACTORS - MUT.54%_84_48h_6 Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Cell line=84; RAW_FILE_NAME(Raw file name)=90_48h_GLU_84_6.raw #COLLECTION CO:COLLECTION_SUMMARY Human iPSC derived from a patient carrying the MT-ATP6 mutation were generated CO:COLLECTION_SUMMARY previously (Kenvin et al., 2022, DOI: 10.1093/hmg/ddab299). Two isogenic CO:COLLECTION_SUMMARY controls with 0% heteroplasmy and three mutants with 49%, 52% and 54% CO:COLLECTION_SUMMARY heteroplasmy were differentiated into motor neurons. Each genotype was incubated CO:COLLECTION_SUMMARY with 13C glucose for 1, 12, or 48 hours at day 30 of differentiation. 6 CO:COLLECTION_SUMMARY replicates per cell line per time point were collected for metabolomic CO:COLLECTION_SUMMARY profiling. Cell lines numbers are in-house identifiers. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY iPSCs were differentiated into iPSC-MN following a protocol described elsewhere TR:TREATMENT_SUMMARY (Guo et al., 2017, DOI: 10.1038/s41467-017-00911-y & Maury et al., 2015, DOI: TR:TREATMENT_SUMMARY 10.1038/nbt.3049) with slight modifications. Neuronal basal medium (vol:vol TR:TREATMENT_SUMMARY DMEM/F-12 (Gibco, #31331-028) and Neurobasal (Gibco, #21103-049)) was TR:TREATMENT_SUMMARY supplemented with N2 (Gibco, #17502048), B-27 (Gibco, #17504044), 0.1mM TR:TREATMENT_SUMMARY L-ascorbic acid (Santa Cruz, #sc-394304), 50µg/mL Uridine (Sigma, #U3003) and TR:TREATMENT_SUMMARY 100µg/mL primocin (InvivoGen, #ant-pm-05). For neural induction and TR:TREATMENT_SUMMARY caudalization to obtain neuroepithelial progenitor (NEP) cells, iPSCs were TR:TREATMENT_SUMMARY dissociated using EDTA and 10⁵ cells / cm2 were plated on ultra-low attachment TR:TREATMENT_SUMMARY dishes. On day 0, neuronal basal medium was supplemented with 3 μM Chir-99021 TR:TREATMENT_SUMMARY (Selleckchem, #S1263), 40 μM SB431542 (Millipore, #616461), 0,2 μM LDN-193189 TR:TREATMENT_SUMMARY (Sigma, #SML0559) and 5 μM Y-27632 (Selleckhem, #S6390). The medium was TR:TREATMENT_SUMMARY replaced the following day. From day 2 to 6, media was changed to neuronal basal TR:TREATMENT_SUMMARY medium supplemented with 0.1 μM retinoic acid (ThermoFisher, #044540-04) and TR:TREATMENT_SUMMARY 0.5 μM SAG (Millipore, #566660). On day 7, medium was replaced with neuronal TR:TREATMENT_SUMMARY basal medium supplemented with retinoic acid and SAG as previously, plus 10ng/ml TR:TREATMENT_SUMMARY BDNF (Peprotech, #450-02) and GDNF 10ng/ml (Peprotech, #450-10). On day 9, TR:TREATMENT_SUMMARY medium was replaced as previously, and 20 μM DAPT (Sigma, #D5942) was added to TR:TREATMENT_SUMMARY the fresh media. On day 10, the motor neuron spheres were dissociated into TR:TREATMENT_SUMMARY single cells with Accumax (Invitrogen, #00-4666-56), and motor neuron TR:TREATMENT_SUMMARY progenitors were plated on 50 μg/ml poly-D-lysine (Millipore, #633307) and 10 TR:TREATMENT_SUMMARY μg/ml laminin (Sigma, #L2020) coated plates at 60 000 cells / cm2. On day 11, TR:TREATMENT_SUMMARY fresh medium was added to the wells. On day 14, half of the medium was replaced TR:TREATMENT_SUMMARY with neuronal basal medium supplemented only with DAPT, BDNF and GDNF. From day TR:TREATMENT_SUMMARY 16 on, we used neuronal basal medium supplemented with 10 ng/ml BDNF, GDNF and TR:TREATMENT_SUMMARY CNTF (Peprotech, #450-13) and replaced half of the culture medium every TR:TREATMENT_SUMMARY other/third day. All the experiments were performed on day 30 unless otherwise TR:TREATMENT_SUMMARY indicated. Occasionally, "flat cells" (other neuronal types and progenitors) TR:TREATMENT_SUMMARY appear in the motor neuron culture. However, we only used dishes containing pure TR:TREATMENT_SUMMARY motor neurons for our studies to avoid confounding results. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Control and mutant iPSC-derived motor neurons were incubated with 21.25 mM SP:SAMPLEPREP_SUMMARY U-13C glucose (Cambridge Isotope Laboratories) and 2mM glutamine in 50% DMEM-F12 SP:SAMPLEPREP_SUMMARY (w/o glucose, Biowest, #L0091) + 50% Neurobasal®-A (w/o glucose, Gibco, SP:SAMPLEPREP_SUMMARY #A24775-01) for 1,12, or 48 hours starting from day 30. Concentration of glucose SP:SAMPLEPREP_SUMMARY and glutamine were comparable to normal culture conditions. Then metabolites SP:SAMPLEPREP_SUMMARY were immediately extracted: cells were washed once with PBS and 150 µl of SP:SAMPLEPREP_SUMMARY ice-cold H2O/acetonitrile (10:40) was added. The cells were scraped, collected, SP:SAMPLEPREP_SUMMARY and vortexed for 5 seconds. Finally, the extracted samples were then centrifuged SP:SAMPLEPREP_SUMMARY at 13,000g for 10 minutes at 4°C, and the supernatant was stored at -80°C SP:SAMPLEPREP_SUMMARY until analysis. For each cell line, 6 separated wells were used as technical SP:SAMPLEPREP_SUMMARY replicates. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Samples were analyzed on a Thermo Q Exactive Focus Quadrupole Orbitrap mass CH:CHROMATOGRAPHY_SUMMARY spectrometer coupled with a Thermo Dionex UltiMate 3000 HPLC system (Thermo CH:CHROMATOGRAPHY_SUMMARY Fisher Scientific). The HPLC was equipped with a hydrophilic ZIC-pHILIC column CH:CHROMATOGRAPHY_SUMMARY (150 × 2.1 mm, 5 μm) with a ZIC-pHILIC guard column (20 × 2.1 mm, 5 μm, CH:CHROMATOGRAPHY_SUMMARY Merck Sequant). A total of 5 µl sample was injected into the LC–MS instrument CH:CHROMATOGRAPHY_SUMMARY after quality controls in randomized order having every tenth samples as blank. CH:CHROMATOGRAPHY_SUMMARY A linear solvent gradient was applied in decreasing organic solvent (80–35%, CH:CHROMATOGRAPHY_SUMMARY 16 min) at 0.15 ml min–1 flow rate and 45 ◦C column oven temperature. Mobile CH:CHROMATOGRAPHY_SUMMARY phases were aqueous 200 mmol per litre ammonium bicarbonate solution (pH 9.3, CH:CHROMATOGRAPHY_SUMMARY adjusted with 25% ammonium hydroxide), 100% acetonitrile and 100% water. CH:CHROMATOGRAPHY_SUMMARY Ammonium bicarbonate solution was kept at 10% throughout the run, resulting in a CH:CHROMATOGRAPHY_SUMMARY steady 20 mmol per litre concentration. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um) CH:SOLVENT_A 100% acetonitrile; 200 mM ammonium bicarbonate; 0.01% ammonium hydroxide CH:SOLVENT_B 100% water; 200 mM ammonium bicarbonate; 0.01% ammonium hydroxide CH:FLOW_GRADIENT A linear solvent gradient was applied in decreasing organic solvent (Solvent A), CH:FLOW_GRADIENT 80–35% in 16 min at 0.15 mL/min flow rate CH:FLOW_RATE 0.15 mL/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Focus MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Samples were analyzed on a Thermo Q Exactive Focus Quadrupole Orbitrap mass MS:MS_COMMENTS spectrometer. Metabolites were analysed using a mass spectrometer with a heated MS:MS_COMMENTS electrospray ionization source using polarity switching and the following MS:MS_COMMENTS settings: resolution of 70,000 at m/z of 200; spray voltages of 3400 V for MS:MS_COMMENTS positive and 3000 V for negative mode; sheath gas of 28 arbitrary units (AU) and MS:MS_COMMENTS auxiliary gas of 8 AU; vaporizer temperature of 280 ◦C; and ion transfer tube MS:MS_COMMENTS temperature of 300 ◦C. The instrument was controlled using Xcalibur 4.1.31.9 MS:MS_COMMENTS software (Thermo Scientific). Metabolite peaks were confirmed using commercial MS:MS_COMMENTS standards (Sigma Aldrich). Data quality was monitored throughout the run using MS:MS_COMMENTS an inhouse quality control cell line extracted in a similar manner to other MS:MS_COMMENTS samples. After final peak integration with TraceFinder 4.1 SP2 software (Thermo MS:MS_COMMENTS Scientific), peak area data were exported as Excel files. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples WT_73_1h_1 WT_73_1h_2 WT_73_1h_3 WT_73_1h_4 WT_73_1h_5 WT_73_1h_6 WT_73_12h_1 WT_73_12h_2 WT_73_12h_3 WT_73_12h_4 WT_73_12h_5 WT_73_12h_6 WT_73_48h_1 WT_73_48h_2 WT_73_48h_3 WT_73_48h_4 WT_73_48h_5 WT_73_48h_6 WT_89_1h_1 WT_89_1h_2 WT_89_1h_3 WT_89_1h_4 WT_89_1h_5 WT_89_1h_6 WT_89_12h_1 WT_89_12h_2 WT_89_12h_3 WT_89_12h_4 WT_89_12h_5 WT_89_12h_6 WT_89_48h_1 WT_89_48h_2 WT_89_48h_3 WT_89_48h_4 WT_89_48h_5 WT_89_48h_6 MUT.49%_80_1h_1 MUT.49%_80_1h_2 MUT.49%_80_1h_3 MUT.49%_80_1h_4 MUT.49%_80_1h_5 MUT.49%_80_1h_6 MUT.49%_80_12h_1 MUT.49%_80_12h_2 MUT.49%_80_12h_3 MUT.49%_80_12h_4 MUT.49%_80_12h_5 MUT.49%_80_12h_6 MUT.49%_80_48h_1 MUT.49%_80_48h_2 MUT.49%_80_48h_3 MUT.49%_80_48h_4 MUT.49%_80_48h_5 MUT.49%_80_48h_6 MUT.52%_56_1h_1 MUT.52%_56_1h_2 MUT.52%_56_1h_3 MUT.52%_56_1h_4 MUT.52%_56_1h_5 MUT.52%_56_1h_6 MUT.52%_56_12h_1 MUT.52%_56_12h_2 MUT.52%_56_12h_3 MUT.52%_56_12h_4 MUT.52%_56_12h_5 MUT.52%_56_12h_6 MUT.52%_56_48h_1 MUT.52%_56_48h_2 MUT.52%_56_48h_3 MUT.52%_56_48h_4 MUT.52%_56_48h_5 MUT.52%_56_48h_6 MUT.54%_84_1h_1 MUT.54%_84_1h_2 MUT.54%_84_1h_3 MUT.54%_84_1h_4 MUT.54%_84_1h_5 MUT.54%_84_1h_6 MUT.54%_84_12h_1 MUT.54%_84_12h_2 MUT.54%_84_12h_3 MUT.54%_84_12h_4 MUT.54%_84_12h_5 MUT.54%_84_12h_6 MUT.54%_84_48h_1 MUT.54%_84_48h_2 MUT.54%_84_48h_3 MUT.54%_84_48h_4 MUT.54%_84_48h_5 MUT.54%_84_48h_6 Factors Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:1h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:12h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:WT | Heteroplasmy level:0% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:49% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:52% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:1h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:12h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h Sample source:Cultured stem cells | Genotype:MUT | Heteroplasmy level:54% | Time:48h 2-DEOXY-D-GLUCOSE 12394513 5453523 12181505 10054584 15954418 8918059 8722328 13970432 17712811 2-DEOXYGLUCOSE 1054701 13317089 4552148 8650638 14620186 338981 348317 17745898 9106273 1419401 6579091 1178101 12005177 12049400 483945 336838 2-HYDROXY-4-(METHYLTHIO)BUTANOATE 4486 7348 8966 2944 8024 4625 3354 8833 7481 4085 7816 9185 11819 13057 15909 8923 13155 18624 5245 5284 4695 14912 3055 7354 8233 9934 15069 9844 9491 16107 30788 18470 11407 48952 35004 22498 4421 4578 4993 5458 4874 3279 5564 15935 5369 9541 7399 6158 56507 30289 20546 31441 11486 22995 6781 4599 3715 4950 4592 12399 10224 20007 16406 12205 37111 78669 43649 24651 43647 48422 20021 5729 7283 4235 8250 4081 4104 8109 8714 25346 4390 9079 15966 36123 167642 32632 25380 22279 75314 2-HYDROXYBUTYRATE 1222087 559962 688672 789797 850872 1452611 844820 904340 1077374 2130332 1136440 1652516 823843 1704989 991972 1167890 913572 1228443 880069 935583 907254 930483 1286835 788671 1300873 1093341 969306 1742715 2-KETO-3-DEOXY-D-GLUCONIC ACID 1276475 1990055 1368533 1656167 2-METHYLMALEATE 265586183 231174969 212660928 167481813 175264873 215815191 216842541 324806518 313443186 424033506 299361356 282695585 216884802 186231382 243450643 260178658 273087000 293787255 291662539 371111571 418531786 323162873 415083998 337735801 206505784 217911209 197669547 208249889 153921490 201433482 314418207 243865107 239507968 374875589 277033572 275893076 272061509 269617659 251632693 232504867 231689145 233826696 354137003 289686932 346817543 272863081 279044593 338709715 241674573 250831152 213580198 236362861 310100928 251107220 251418601 268435386 328697467 271272917 303704446 211399718 2-PHOSPHOGLYCERATE 23162595 5938564 5721579 6431409 2288411 4738290 41653807 10752500 4073868 4645358 4708986 2142646 3034251 13557029 7402755 16484615 2547393 3487629 12928703 2883200 9075490 6975800 9499621 4517333 3116360 6517893 3779443 5238204 6143664 7425609 16733269 2482299 4930415 3581601 3402983 4333772 4289192 6777956 2799733 3958017 48056607 3255541 4296440 4537946 4718708 3098132 3044091 11297445 2426062 4020993 3404237 3644411 12879502 2496682 8831916 4322254 17935482 3320334 5581185 8380238 2651926 5279785 3405091 9657504 3778215 5761166 4668368 2254312 3574868 1945714 6255462 12680947 2404753 3697442 43321288 3421920 3091293 5432505 7177844 2142942 3184135 10395134 2411171 5514793 3491016 4699020 13289191 2319293 5750503 1949272 2-PHOSPHOGLYCERATE +1 460294 23214 22264 27915 10240 19827 1190680 217764 56077 25670 26346 6665 11961 51515 38598 381527 7529 74137 7560 86987 35670 115333 63788 9741 21473 22283 43555 28687 118423 316910 4430 14705 38536 10190 8901 19646 9875 14899 15048 1185586 29812 55166 54800 26573 50613 5481 87114 14862 26038 38300 14255 203249 6728 118347 73683 366892 11700 88603 41186 14730 36976 33842 214056 42442 233618 20767 45339 14526 6522 65666 207974 6847 16573 1175586 24664 31076 17276 25045 9641 57133 158097 12461 243074 26214 14712 243360 7924 49216 5358 2-PHOSPHOGLYCERATE +2 2275474 690508 506687 568329 216555 453005 122782 956944 1086993 1245759 361739 561103 506014 524279 665717 788083 425582 321438 240611 571287 1424916 937053 1171476 1205564 704120 776836 1550087 1183165 1457992 1925484 1701696 501560 529017 1948945 601572 783077 876984 552936 784859 706038 277710 721588 1703265 1753906 851791 1610444 836226 840148 788298 1906392 1465456 726848 651575 725505 1583222 1758254 1958158 879433 1453263 803552 1105328 1159589 1574097 1838984 1522427 2760050 998106 1152803 812390 909531 1643902 1066685 711345 735343 157096 806444 1381020 908308 837136 719454 1079815 650195 783220 3091780 1187335 595409 1056351 661439 526351 553432 2-PHOSPHOGLYCERATE +3 70928009 20033180 14227540 15764266 11646341 13187846 16880647 31918185 30771506 35794392 12215569 16587768 13778184 15247837 19265644 23694356 12605511 13387895 14194335 16042246 40116532 25352461 33631553 35978284 20837992 23186713 43903356 35213186 42841623 57847338 48807424 14241181 17253175 54111584 17125463 21347612 25685604 16501504 21167822 20663525 25087098 20949546 48945431 49392352 25053793 47029189 24025046 26056828 22352559 53550655 42078432 20311966 22743752 22067228 45557375 56240802 60166661 26878489 46248424 22336864 31183380 36691298 46129304 57170073 44421086 84612028 28611222 33776500 22611986 25779075 50778875 31050028 18187324 22801188 15686542 22711172 41391057 25766250 25893471 20756977 30145470 20661812 23171938 93009374 36156085 18174476 32512936 21142457 16225302 16164510 2,3-DIHYDROXYBENZOATE 14709 9705 19854 25376 15186 16219 11673 21903 25535 12411 48855 15919 2,4-DIHYDROXYPTERIDINE 4960 11512 11061 23184 12871 17029 31565 21731 17514 23485 11146 23738 6238 14260 25630 10559 12394 18287 22196 7998 119607 13502 14218 11957 14617 12520 23569 15387 18954 9975 30025 10410 12026 13445 8903 14494 19569 21128 10006 12127 11027 12132 9515 18793 11179 16689 26444 9296 9052 16705 10445 8062 9412 9010 11627 13606 18859 14984 24000 25677 14900 10779 13085 14595 22942 10900 10071 8059 13913 10399 13670 19373 7761 16866 8185 28022 18324 15857 28209 15624 5307 8100 16019 10134 12596 2,5-DIHYDROXYBENZOATE 11570 9303 9705 9892 31564 16219 21903 12481 9053 15519 58299 2',4'-DIHYDROXYACETOPHENONE 118690 1740387 1962483 1684479 1503897 1048308 1314213 1496976 301369 1023156 1841436 251781 956383 461186 1036785 1072776 474285 1966527 284108 2HG 169083317 128305087 106699717 104801505 98510095 89693301 86602886 122599280 130506886 124940936 107051466 107145740 54684794 59861305 62747832 66014563 51881223 53767733 126201667 118806137 170884424 147843601 153995355 200083059 102806178 121785156 133225973 134380386 139141751 137146086 85340953 53930849 58225777 76813961 58458884 66632926 150885166 116127890 120471375 124624934 109664475 123822452 146254170 108045141 108161788 123875835 114100256 120788663 62865605 87806648 77707632 59244180 59802655 66692619 198841063 198230083 155580798 146786084 150036147 140844979 111875710 105887505 127118782 128880505 110703527 139766737 67667774 63900908 62485162 68039557 73425855 67157237 120371690 131304080 121463667 141195702 171625201 156404392 111850659 108294577 117764670 112993357 121209604 213619564 69682044 61108218 64739744 68714608 60696407 60538161 2HG +1 11939 9159 12051 7359 4148 16304 6692 8206 8509 8524 12677 2HG +2 2524947 2321934 1510784 1889392 1869377 1477069 9171931 14655918 15947813 18090085 10666474 11317181 14933268 18228759 22814257 25810057 16964296 17434128 2193872 2585040 3130379 2805254 3079478 3036144 13382190 14535275 18270723 17977649 17385198 19100211 33227362 17867527 21696901 36122371 21866259 23347883 2125264 1775867 1537525 2055283 1992506 1993837 15263456 13143156 11898109 15414389 12373215 13444864 17512936 30268679 26431234 17207108 18481817 21928051 2581438 3002804 2732155 2257250 2163243 1871926 13977185 13375877 15899628 18104386 14445261 19923698 25555397 23799489 22923368 25219242 30101358 27373414 2281538 3087355 2160998 2912427 3617530 2925752 11633473 10915468 12236738 12000704 12426740 21902296 20382302 16536008 21238343 19822187 15228367 16023697 2HG +3 168710 174848 90376 152144 173284 117118 3458652 5993884 6586536 7459978 4451377 4605549 10627456 13241396 16041314 19245691 12989015 13424092 179110 255501 289282 210180 263774 268504 6037149 6783458 8322896 7699470 7761750 8314094 27100716 14528748 17550874 29788410 17971523 18012525 192774 166577 113045 195110 195362 141331 6580944 6134494 5302096 7217358 5905593 6130963 13741410 24333886 20673624 14305457 15992194 18298437 312958 290509 249185 211927 210024 154126 6549011 6702960 7089018 7908274 6725404 8820435 20801823 19954678 18390760 20639767 24286752 22493315 225919 321028 192631 273624 364918 284665 5354384 5139521 5687940 5655929 6073215 10347322 17500694 14242578 18740361 17232432 13071331 13928727 2HG +4 8165 44590 14520 34304 8030 34965 1701561 2958728 3214972 3660480 2207029 2165534 7531125 9556471 11569055 13784155 9275735 10222537 11777 72090 45351 51474 83658 40649 3158716 3342281 4324228 4096558 4030084 4048160 21182757 11287130 13805018 23733895 14573599 13694265 21021 24820 10110 19057 88857 18883 3306384 3253435 2749362 3833296 3105083 3287098 10441405 19006876 15416112 11528768 13136584 15127506 58558 25623 103845 55244 92004 34472 3479989 3556326 3375202 4185557 3585882 4619440 17373906 16988705 15722303 17471448 20644290 18934713 48815 60591 53197 116698 84879 58839 2684444 2817134 2765740 2847568 3424870 5144980 14348769 12051227 14824209 13974888 10192943 11223914 2HG +5 184048 110270 171283 161446 256792 187856 947787 1499581 1613834 2016492 1098065 1167046 5537326 7881986 7974774 10851465 7552372 8202157 180740 158469 254043 151377 226041 210954 1620377 1781503 2124671 2052516 1961705 1966267 18166350 10061576 12232692 20100589 13099106 10573240 156097 194423 158751 170459 246279 158865 2060788 2153710 1744780 2300577 2145364 2037070 10361473 20549938 15918207 13098717 16903476 17855780 363115 259605 127967 215476 127949 186484 2224824 2412527 2153652 2393107 2167086 2926276 19221982 20117398 16611809 18992317 22744365 19533149 230930 195816 228446 258878 315267 205255 1610738 1898592 1725111 1876731 2112580 3260932 17731388 14779680 18212532 16904678 12130627 13348891 3-(2-HYDROXYPHENYL)PROPANOATE 238094 141841 293516 385597 595440 1574821 647615 358618 478652 573823 330790 462152 293662 339595 529017 935528 720983 737076 793220 132403 1320460 266685 303087 292899 300167 392961 1101691 808057 1219164 2287852 1521383 1058904 1020562 437665 205284 362064 129027 303984 220245 612064 575270 650008 770412 1122249 1232317 366127 542317 1065324 293088 342003 391508 272268 190486 138104 1042039 1191283 1242570 1415188 1266566 1059033 3-(4-HYDROXYPHENYL)PYRUVATE 944179 512531 280340 293180 522069 575207 302651 326183 1340449 1122054 1404411 1645032 978302 1098053 60423 89840 612137 499724 913269 625765 685362 773951 927748 633210 590356 2349111 937228 1138106 1929810 1035097 1195025 988075 838639 736009 601666 444570 451936 1357476 1063049 926665 1048048 636816 630610 1648803 2224568 2485772 1488942 1341703 1407161 790604 802548 417287 311662 57555 568323 593721 840996 941690 980763 1562958 1639450 1433148 1207359 1802421 1465940 957128 859756 745082 587857 826430 1113757 990445 1312790 1018743 859344 1484480 2173674 1643994 2105730 1861697 1402315 1541914 3-ALPHA,11-BETA,17,21-TETRAHYDROXY- 5-BETA-PREGNAN-20-ONE 12914 10684 20069 738835 7301 308796 11744 10615 448867 423189 33389 6868 13389 35251 8680 27989 35188 35598 1106546 31405 128530 15220 32487 10499 16126 15717 262643 29320 7316 735505 22908 5410 8404 49066 102809 96549 12923 8419 57574 95544 70937 83336 18533 128893 11116 58709 25516 137245 18810 8342 40419 138668 438870 84012 6522 120939 9019 19744 70025 76065 875099 184622 22577 6558 8122 45578 58897 21080 146074 189312 120968 427663 353670 40765 13282 28973 34689 61312 96199 3-HYDROXYBENZOATE 36850 927422 3-HYDROXYBENZYL ALCOHOL 554005 1085159 2565617 1046773 858213 642033 1172298 511952 984725 1264129 1336988 1894420 754776 2432517 1257169 488187 2991272 1896189 2687419 2475515 586413 161089 313566 460529 952139 1355454 1613394 2278784 670576 768462 343528 426909 1004196 694521 827667 1615581 3-HYDROXYBUTANOATE 281955 3-HYDROXYMETHYLGLUTARATE 1138995758 878764615 671625236 717136128 705728659 629461255 436991427 772829756 842867056 967506423 583088548 649697657 228865255 289891084 321173176 404746815 266783924 285043018 870784471 900836953 1289014565 1070855010 1099645496 1337269333 761609226 840512514 1051439949 1001789478 1071892051 534728621 307829538 348151463 354824840 357447107 1171977109 1019542852 900193206 1073968376 990773553 2435478 1022587918 933872197 762554604 2446728 839457446 805311945 304087191 455370905 335748124 349677793 389328623 1691566522 1467640475 1239914853 1159792432 1189006045 864281830 863807889 1068086341 890374780 1215634509 433183052 376104647 377564488 477967746 453802410 913805820 1069304121 958933004 1067057588 1273397818 714375388 671587830 766213668 728578889 768048596 370611808 312653374 403824683 378320545 303888214 312586869 3-METHOXY-4-HYDROXYMANDELATE 15094 9806 15419 6879 8731 5765 9350 10470 11616 9884 14095 17672 10154 9775 13137 13182 9635 11162 24799 14255 17713 10835 19349 15205 10100 9294 16272 10544 8777 8118 8425 12247 10455 10468 9954 9642 42064 13190 10375 10820 9741 21408 15457 15162 8160 25212 15480 14558 8668 11198 14299 12753 12566 10079 14311 3-METHYL-2-OXINDOLE 9859 64159 73317 41425 102400 30663 109687 65299 110681 70211 7181 10204 9056 13295 26846 29129 54446 16546 39885 85783 71037 24843 23335 14017 25964 17570 15142 23322 30175 12702 17567 16584 86444 85231 19898 7069 31978 13125 17153 5827 6462 16476 35119 78430 10450 47658 79235 12068 83819 47799 54044 96096 60380 67961 93483 59056 83593 15837 22955 78006 74672 63884 35119 37585 9731 39827 56597 17970 102169 148000 24446 93463 89554 84617 51828 21038 45299 20014 87980 17181 37469 15372 8821 10815 11294 3-METHYLGLUTACONATE 323543 353624 1513161 345742 2636979 841626 1117749 402399 3-NITRO-L-TYROSINE 3232 9212 6192 10120 8396 6398 3-PHOSPHOGLYCERATE 24434990 5894346 5403236 6238363 2300628 4916004 38932305 11728018 4270932 4650915 4586522 2332397 2965376 11379554 8010702 16452974 2568040 3667813 12816172 3116813 9829372 7070162 8943233 4597096 3376600 6224136 4045312 5638862 6186450 7145300 15851317 2504013 4686835 3702656 3441433 4412404 4323147 6615572 2907100 4070061 42841437 3526817 4604291 4716338 5101810 3169034 3044556 11651786 2518473 4230977 3542987 3788256 12888920 2723617 8938631 4408950 18324049 3320277 6318066 8338917 2726360 5405399 3499048 9770783 3815387 6035124 4995865 2350742 3631369 1991378 6487380 12173936 2463371 3882151 40682260 3483866 3104296 5381915 6617703 2257618 3341646 11074668 2516991 5708625 3709579 4352612 13155955 2328394 6288792 2000101 3-PHOSPHOGLYCERATE +1 694454 63959 33028 90848 15287 38233 585138 284875 123299 66696 34783 18471 17415 203986 134918 433786 22470 249638 13146 249115 113573 234267 108012 9741 46360 51591 126059 121103 182063 390892 4474 37573 83231 15874 43776 43658 37166 20003 61125 1252458 54468 107472 191389 81946 86507 10286 246058 27293 103033 95144 32483 257552 6743 263973 118542 546376 20108 143323 96600 27022 77022 109899 329603 55849 287387 93706 64330 25087 18190 130112 265978 6902 51067 828643 58676 100972 54265 97643 14500 85703 273800 26868 320521 61286 14795 341810 7981 108207 5354 3-PHOSPHOGLYCERATE +2 2367356 709082 520981 576663 389814 458265 402739 999620 1113352 1274070 380530 591866 513579 549193 665631 805767 435673 467884 460156 590176 1424677 936533 1184108 1216571 713303 776698 1613574 1182815 1468074 1986227 1701873 521999 567521 1974486 614368 803875 886915 598269 784644 725856 654538 734018 1733830 1778451 863618 1642053 845365 840451 810774 1924913 1485219 726826 740177 756613 1582525 1812433 2039731 897237 1613084 815043 1105926 1223012 1586719 1936519 1559758 2861164 1011379 1234262 834134 958283 1674106 1066657 711549 746620 341196 814527 1399998 908735 845764 780477 1080108 660003 803487 3160425 1187381 628264 1068380 661545 536104 553349 3-PHOSPHOGLYCERATE +3 72196079 21038542 14834686 17227079 12226858 14308684 17161638 32426917 32043355 36537204 12560991 17253393 14439053 16095111 20301071 24101709 13007027 14154758 14624366 17303744 41356635 26460117 34814164 37024240 21177443 23564068 45925196 36329870 44553842 58238290 49149671 15050750 17269752 54777011 17378386 23274560 27141629 17479011 21745731 20849700 25927662 22344304 50527488 51281240 26060063 48777245 24476923 26337352 23233709 53823628 43140655 20616186 23109682 22859330 47576192 56662958 61973073 28449514 46845218 22778225 31445387 37454227 47326975 58682834 46615995 84841194 29825163 33891501 23486563 27289035 51707539 31278143 19639351 23871115 16419591 24592898 41710383 26668016 27134753 21788300 31348021 21473792 23509247 96673605 37200975 19476761 32832404 22488303 17009442 16881507 3,4 DIHYDROXYMANDELATE 4908 10235 5036 6826 6574 6627 5842 3717 9398 7403 4821 10728 4564 7483 4355 8937 9952 7143 5287 15285 7178 5436 8223 4224 5566 5227 5924 3497 5962 8227 8873 12287 5099 4502 10028 10393 15611 4976 7533 8814 4560 8187 5367 4663 7935 14285 4159 4300 9472 7677 5297 3,4-DIHYDROXYBENZOATE 153488 80113 152349 119777 113923 183414 178338 57672 514861 118713 147518 151385 133350 122752 160476 108138 148806 119218 162753 150825 134170 128548 80789 73838 33838 85201 29877 65848 83751 93717 97217 107080 24137 72509 145124 108611 92189 167310 82935 146532 77360 140160 112950 46896 172693 37809 81527 77882 129459 108973 99099 83551 33196 125323 59628 125620 140519 94922 46433 69051 167409 39750 135445 28503 105697 75319 135482 71114 115959 104281 87148 140899 120275 190146 92866 107626 110749 72490 102509 125979 126855 76331 118169 113082 99391 90994 70779 63545 3,4-DIHYDROXYPHENYLACETATE 3355153 2437240 2279028 2174346 2296128 1962253 847468 1663835 1696459 1367368 1269112 1977639 2157671 2911999 2702141 2256586 1837823 2159191 2264906 2286288 2359239 2464120 687728 794510 2281300 2173725 2080364 2219246 1902652 2046546 1876361 1566249 2277157 1592839 1790679 889067 418516 2320140 37249 2406427 2215864 1809492 2143931 1383583 1185009 1369815 1324951 1255662 522879 1980111 2099372 1733918 1906089 2811007 2046281 1138082 1081726 1384893 1150206 1113508 425615 4-HYDROXYBENZALDEHYDE 10956708 6496440 23183404 26302672 19672918 55070329 19643369 2571623 10372072 11615703 26070879 4-HYDROXYBENZOATE 669987 4-METHYLCATECHOL 50460 48059 47006 39188 28451 36346 47286 37019 56930 64886 32879 37997 5-HYDROXYLYSINE 3177 2453 2314 2767 2083 3199 3514 5634 2608 2459 1900 2148 2791 2529 2494 2805 2506 2707 2467 2853 6957 2629 4568 4277 2977 6-PHOSPHOGLUCONATE 17938055 4332969 3418865 5889988 6-PHOSPHOGLUCONATE +1 13432 10849 48100 8625 14061 98563 10491 31702 6275 6476 21645 39272 293337 6017 12305 240949 4853 70435 40601 37273 37884 7416 45362 17867 7849 29481 144525 6967 7048 4329 7706 8198 17999 51049 8019 27590 9161 24348 20532 8140 63605 5574 12404 8929 148294 110310 13521 346217 23484 23025 49768 7581 8999 25783 8469 7806 15491 3167 5290 5114 16048 91286 11610 22973 18653 3774 21079 27231 7497 107023 3394 14088 13234 6195 63232 20518 6-PHOSPHOGLUCONATE +2 8879 4950 27827 9378 6995 7984 2987 36260 2778 5671 3460 6389 34515 6284 3610 6-PHOSPHOGLUCONATE +3 3023 2763 6-PHOSPHOGLUCONATE +5 2400 2445 4301 2359 3437 5371 3573 2798 3118 3620 3870 5640 2972 2614 2961 10713 3742 7810 2489 2729 3190 4250 2762 7683 3747 3481 2730 2137 4387 3342 6-PHOSPHOGLUCONATE +6 4552 5746 13892 3789 26732 33606 11087 6816 8609 12602 19040 36720 13737 12887 3768 3403 5752 12574 14629 13769 16592 24283 33768 34354 94578 16382 18072 112112 55296 29499 2696 5612 5445 6434 3150 34698 21837 6994 11287 2498 19311 12374 63362 35021 28206 28901 53028 28711 8388 3640 9788 3163 2842 33036 23205 40957 36593 11922 44531 43414 64170 32922 24377 67930 64538 2508 2517 3680 3486 8236 11799 11113 12714 27491 81145 19082 25799 51153 34499 28711 21017 ACETYL COA 2337465 1401879 906117 1399495 1025002 893203 657429 1269060 1161392 1436141 737626 830636 294901 462977 520735 530169 375664 399308 1418878 1410592 2216675 2158704 2004363 2323170 953454 1047924 1497903 1131214 1604475 1728999 801044 322237 397732 554443 405686 609349 1915238 1317533 1278607 1360713 1349292 1475780 1210766 1038773 866290 1280905 1006356 916476 500778 533827 442137 473944 489162 446901 2220903 2742615 2563830 2043429 1817008 1897983 1264345 1235739 1306198 2044101 1239818 1519751 560839 590972 594634 607105 776666 592688 1641762 1683099 1405624 1856853 2328718 2432449 942215 652949 1045865 922548 1024903 1975486 586432 302730 637722 493830 410064 378764 ACETYL COA +1 513931 329742 233037 352271 251731 253506 138776 252140 276173 79342 206031 231011 26551 117403 146113 30708 71581 28957 405968 360119 544066 587955 380383 449024 286421 285784 435233 295564 560519 511374 70474 90312 113063 65329 146067 151322 407898 345842 304699 304991 325065 330408 217505 277605 265809 171993 281893 247978 148858 32656 38213 66900 81520 132135 598593 696131 756609 566299 416856 448845 334587 361101 303325 638377 322858 188414 143713 133167 160766 149175 237898 215807 291153 416236 317161 476262 609590 521655 243445 182374 275790 193291 299802 420361 139987 59798 165239 121354 53739 134900 ACETYL COA +2 751329 431165 187459 337538 264217 222022 422061 747275 678443 311247 431727 453670 312272 492145 693786 389618 428317 458602 253364 449197 677581 717683 582125 571825 584580 783937 903693 835992 1184017 994212 1027429 530721 644212 946536 791869 782508 494457 332274 276371 212991 340490 461047 694442 758734 580500 675442 745172 598372 601064 821388 772717 504516 855080 854538 628447 732616 814541 687498 550670 525315 808479 933938 908419 1158852 1003751 1002273 903507 981136 698784 1045352 1180995 1015979 533059 642453 444113 565045 711272 771096 726294 588040 630681 584047 682857 1245602 991789 733066 1032366 940759 676013 795608 ACETYL COA +3 32934 24849 42135 21611 71110 121460 83416 12099 17687 29024 15959 45634 79430 29787 51949 53328 60745 13438 21320 14441 11922 13511 50353 89973 75789 55898 99990 83629 109550 86207 62509 138370 80379 142984 31463 16952 14971 26138 24398 24810 113139 53505 90146 39897 95124 65695 26700 30320 116432 164730 14803 27115 100372 133179 28513 26632 72742 163874 144261 220351 85802 135502 173633 105494 111882 167894 191707 103792 28056 30091 102690 59765 14600 109432 99288 68504 70320 56339 89950 125321 214137 80718 209987 140484 69154 122294 ACETYL COA +4 33543 20962 13816 28857 14026 10869 16499 76738 69459 12632 32171 19082 26412 39647 14072 30831 13584 81416 17715 149570 16614 12488 14461 30667 22460 13952 34595 22572 68652 93209 103318 85304 27910 12340 13489 16831 146329 18354 35386 12689 12753 ACETYL COA +5 32370 40036 14241 63158 12875 29911 192517 264544 344836 283324 207683 200693 19567 20722 14594 12232 66176 68748 101994 116050 557994 231664 293448 240375 362806 431481 71428 19751 42630 53664 14125 248373 219815 98988 280535 284699 287928 24870 92830 32983 39588 15535 414716 414636 377162 452742 578542 495416 56863 46251 139451 14270 15177 43488 16981 385870 204272 369577 246022 240947 217493 ACETYL COA +6 14367 27499 51126 11556 68789 56135 112318 125675 75408 99387 101032 136801 28873 16278 96871 63025 139139 121089 124547 152839 113266 182435 228238 116635 19025 146487 84829 159225 144533 103094 68692 ACETYL COA +7 179920 254428 340797 88166 123834 243340 192068 197549 400408 297403 500426 414522 276203 252435 97207 235051 487689 482054 470775 456966 273012 565963 793818 559893 446569 398510 372590 445595 195914 386809 ACETYL COA +8 15514 9332 25994 22694 16154 147744 14904 57734 15616 45205 47419 18091 87488 74006 66891 31145 41721 65353 24339 14477 74148 61546 42323 42842 156908 77073 40279 130647 194125 30137 59017 53715 38006 34509 ADP 85493767 61913934 46806998 46131270 44687766 40650100 60197596 88756245 73718166 111645467 46666732 43677127 19735541 36138070 55083094 48858336 34917810 37295543 53074298 53811966 73617645 76763087 70882421 124121631 49356924 51456805 52372994 62750340 68036832 80137919 59691033 38133158 39720583 82988591 40048942 45712763 69184504 61968786 56858326 59092858 67521127 57676206 92690596 58355683 51648123 65621877 47146216 51735313 41997918 85122974 71912532 44246248 55628551 48621027 103335693 90394078 93125256 64164519 56581545 61332480 46535560 50908772 54815664 64299313 52061414 95005759 52518371 53491131 40433931 41848415 62583658 49345524 61105061 74033318 69466147 63877713 102283585 82728903 47932184 46752660 53374852 48409682 50968969 176319399 67137991 47767563 64876361 53742812 43729843 43078659 ADP +1 2819225 1315401 859349 981875 688614 826195 741387 1520500 1295546 1697986 721452 841044 429084 833539 1012199 1044439 580853 522272 1201059 1205436 2364002 1945487 1739583 2047284 877476 1150095 1109874 1214700 1803354 2012157 1442819 574674 729788 1266770 713793 721632 1686553 1186850 1107862 1174369 1181736 1552366 1380827 1226149 932784 1376685 922595 1017559 635279 1292647 1112694 783692 1082396 678535 1960143 1973162 2723697 1376168 1402472 1419838 957795 1324887 1281161 1625516 1280904 1898459 909830 877931 572155 708477 1243816 1084863 1339079 1448905 1359555 1543179 2337115 2000188 1099005 953609 1147937 1106892 1065895 3245203 1225868 652768 1271183 843904 669026 641941 ADP +2 1247037 876218 640624 728262 706261 725461 1403484 2120590 1702485 2384563 985138 922403 667234 1229715 2246436 2094024 1328214 1433454 924481 811262 1209331 1091878 1022645 2447887 1249313 1132116 1075867 1634709 1571296 1917920 2024827 1424911 1342983 2891605 1590207 260140 1206599 822981 875546 1081694 999440 941035 1952904 1215344 1222030 1446343 972681 1172580 1434165 2348477 2300765 1694610 1811527 1521901 1909180 1617145 1491122 1124685 759658 948794 1018412 1040938 1304957 1541147 1162499 2359290 1785723 1910737 1615305 1561123 356200 1812098 993393 1249441 1169706 1022563 1713498 1406652 1028009 862214 1075430 1109214 1090437 3646536 313020 1465070 2073283 1797706 1375699 1488938 ADP +3 51374 15101 20021 6016 19908 32099 81118 79321 208174 180119 106165 131290 70972 95541 148151 224462 131831 129596 114453 122602 42679 68335 60395 111525 104339 252145 93348 97126 193775 33654 274330 93449 147319 169516 122099 137656 49101 55500 34662 75077 39532 18914 154547 115470 151388 129114 72508 108167 129826 261237 202747 123326 110144 102265 21691 90108 77445 26612 30547 162826 103642 162285 204070 141920 157917 173247 123624 123441 200203 178343 232455 146478 41779 50717 34716 83744 162880 122041 76106 87062 308168 85219 201998 445229 152863 104316 149643 159796 87519 121625 ADP +4 7140 7143 29885 134368 122883 156502 68976 68074 180658 439519 92948 109712 101561 213332 222611 286938 728548 340429 816806 161316 126793 59977 169710 67476 72770 337944 728843 510074 345329 92727 29777 144912 129500 142889 218181 120438 240898 476073 442077 310187 362449 507707 13919 61097 67482 80523 79008 108279 351304 472451 304020 486461 285752 ADP +5 75781 55797 7598 7313 11364 679170 1778540 1962684 2279394 874827 1153986 2190651 3329296 4628445 4800130 3207170 3660798 7386 45286 53382 53694 61279 1481385 1416890 1833137 1830114 2702285 2622047 7662798 3785108 3772320 7967441 4115042 4599425 15305 13299 8142 1849004 1809634 1412274 1890446 1215163 1229219 3453733 8046564 5805193 4104130 4735397 4364223 55887 64257 49948 8545 21830 8089 1690524 1537903 1832918 2297536 2010954 2959567 5147536 5396070 4138294 5031681 6831341 5449204 6728 18542 68838 52316 1346621 1098054 1526617 1237781 1450338 4626548 5712313 3807358 6033390 4637605 3455246 3737679 ADP +6 12692 111488 48590 112334 30079 47694 193748 321666 434580 401676 302707 291967 52347 78466 273165 71445 148015 132343 679341 287331 359051 751957 290213 388884 99190 103112 68920 37225 40989 99756 305616 826004 518361 356630 545465 436676 64531 76102 129021 106754 108088 171469 366058 577375 411404 470980 633778 391089 46536 39594 76849 58646 77786 288660 459405 360827 502755 405931 266562 314299 ADP +7 10882 17417 25780 38470 37747 55632 29849 38058 9315 12465 11970 6533 13851 150769 44035 65640 168653 93342 59169 10129 50904 171239 119981 40875 75982 76098 37153 8217 11753 85255 125435 49627 95596 154445 156962 7336 16231 17460 100910 55730 89800 49410 8801 30841 ADP +8 6374 8112 ADP-GLUCOSE 8380 5009 11558 4193 7520 4120 6288 5227 11812 6413 7112 5634 7348 13603 5081 8193 5486 6766 5301 AKG 50128691 43795978 27905237 26673007 29677325 25451947 23216828 33572269 32050587 26874320 22371825 22357758 16909613 19302149 26665627 27337464 18302165 20888130 29448504 32397219 44331493 39058910 41580921 52116447 27627300 24270302 35734993 27504591 33918836 28960854 32186314 17008923 24080972 35901221 22896865 24901258 42202036 37938664 30520065 33253966 28423967 30790759 37599233 30753713 28541193 36767992 27546780 31590634 25578406 35707118 35184607 23536412 22201966 30773371 27790130 35065093 33642705 29814802 31714175 29604528 27150998 25498218 30633721 30891609 29162755 44845693 29599192 27668975 24985900 28982237 35033398 31291003 38472631 40946812 35936481 36290694 44406870 42780514 33512159 31225183 34271693 30089116 29154429 54786362 29990835 24478396 30319421 25428443 22890761 23478819 AKG +1 3333016 3006006 1704380 1764172 2229407 1713830 5804109 8635610 7969083 5854712 5065623 5695504 5717659 6430534 9846418 9372602 6641934 7560390 2179267 2619341 3280000 3187520 3188876 3833972 7167665 5950384 9491824 7762036 8444897 8932882 11291144 5844534 8751123 12877380 8506472 9251340 2748247 2556562 1955056 2382593 1984047 2137769 8894363 7394636 6855135 8794379 6836572 7584763 7652671 9886799 10404824 6832689 5998123 9192761 1783014 2380088 2285183 2064817 2233013 1818324 6693517 6250622 7660333 8961022 7448739 11240865 8310121 7687251 7187581 7970730 10209699 8762095 2678429 3151083 2581960 2761211 3268957 3156865 8707071 7656612 8768546 7673351 7781636 14007426 8345206 6913715 8486677 7330627 6533573 6822590 AKG +2 4119068 3524989 1413051 1598981 2239989 1328194 8139805 14548333 14861310 9531650 8602736 9713010 14788701 17002970 25020031 26475249 18982015 21646774 1978698 2244581 1394378 3024061 3844864 2274582 12863008 10313390 13019556 12046755 15123980 16597241 34292467 17358261 25725411 41278292 26076633 26704323 3642181 2622011 1135589 2591963 1753111 1672037 17530151 14991295 13350864 18339302 12611507 14896062 23069541 34872913 33888604 23166666 22167456 31761438 388090 1562863 1732411 2090421 2293187 1452250 11756128 11013654 11949775 16611776 16320519 24319495 29227293 27078846 23603412 27360272 35442709 31081657 4057813 4266146 3314953 3440633 3194198 3819115 17746333 16122355 17097731 14244034 14280136 28404512 29831186 25436120 30012622 26548987 22463003 23386843 AKG +3 655283 675853 347318 404938 587447 364692 4622004 7195324 6737610 4996216 4350965 4734072 12012031 13851820 19275584 20028395 14879310 17361366 548410 722600 778111 700484 740973 754510 6960584 6127678 9065879 7375147 8278081 7997199 27948391 14838731 22443666 33881934 22447080 21268365 633983 575701 383673 568966 484480 463671 8357429 7813173 7001478 9519572 7684604 8239957 18242759 27890160 25463907 19407465 19408310 26696563 319618 558748 669776 553967 657561 356648 6867646 6924980 7566611 9359624 8186547 11558355 24381217 23584245 20726124 23898163 29448338 25416883 644549 876755 530398 755407 859368 806183 8979218 8568803 8843898 8015837 8634857 14209178 25564747 21977621 25108090 22444836 19108693 20816272 AKG +4 348069 331481 150475 213885 319046 167669 2685549 4033722 3886578 2842995 2490045 2747555 9680780 11522242 15623675 16730909 12691517 14714650 245931 380480 387733 369078 369458 405510 4103715 3656278 5381746 4488241 4886910 4652889 25237070 13189747 20288058 30945363 20839081 18317237 317131 290594 199568 326734 269273 271492 5139878 4941474 4295024 5947436 4963621 5154364 17057248 26189497 23925780 18870701 19741425 26585760 203961 332750 377700 292955 325599 202755 4355760 4509252 4423060 5675486 5174898 7153794 24164737 23961240 20374722 24133724 29303173 25245085 339990 460545 301616 436401 435823 390082 5593331 5493018 5476134 4916505 5575361 8741657 25720896 22364479 25785960 22845094 18977278 20865750 AKG +5 73839 75085 22191 46247 67870 36894 833126 1372345 1326338 1028950 877629 922313 5490523 6819541 8587823 9569624 7653225 9064009 40533 73178 58436 59114 76545 45545 1460882 1340476 1966992 1570267 1720060 1628261 16693172 8700547 13783611 20436823 14574719 11431245 63328 54261 56677 78204 55505 44603 1941075 1879658 1575951 2288245 2008207 1896733 10907756 17889475 15688377 13659442 15118404 19964943 49049 84093 95922 75100 92744 33754 1643346 1755444 1593702 2090385 2074781 2643673 17963377 18331732 14798313 17902698 21557250 18733109 60173 94761 69209 82591 73280 55409 1978860 2058402 1913627 1842847 2112647 3121749 19155444 17329811 19069678 17275983 13787305 15434392 ALLANTOIN 674390 7648 7257 122962 19629 15066 8712 22084 9270 13801 ALLOSE 1177104638 746148522 1004018183 606492956 388509991 599126876 514603518 623727116 910519938 577478976 332839298 510733681 449605930 408355978 624663272 508449713 321979968 417392238 631766091 454740706 929623109 1118868170 880887624 1315901746 581835425 415865163 761071123 853414824 696518278 947122703 667211244 345976337 493164852 669718675 444156781 570056988 1246386321 834212824 1035483507 720244570 395332030 690120829 875797735 685151035 836309672 655107223 398756493 573130451 621254104 685632887 907021309 512264072 428109746 614646189 1189844006 868789085 581076388 848253441 662239860 1009162501 586447898 368154565 637954689 874266372 579390973 855044114 540385683 436950673 461393817 523849009 544180000 714539303 1134977603 889551449 1086492704 1091509861 976241581 1348154322 801373174 602172435 843832781 742565986 614109182 1012902843 788354275 572054022 815468278 681069209 444044580 564273503 ALPHA-D-GLUCOSE 1177104638 746148522 1004018183 606492956 388509991 599126876 514603518 623727116 910519938 577478976 332839298 510733681 449605930 408355978 624663272 508449713 321979968 417392238 631766091 454740706 929623109 1118868170 880887624 1315901746 581835425 415865163 761071123 853414824 696518278 947122703 667211244 345976337 493164852 669718675 444156781 570056988 1246386321 834212824 1035483507 720244570 395332030 690120829 875797735 685151035 836309672 655107223 398756493 573130451 621254104 685632887 907021309 512264072 428109746 614646189 1189844006 868789085 581076388 848253441 662239860 1009162501 586447898 368154565 637954689 874266372 579390973 855044114 540385683 436950673 461393817 523849009 544180000 714539303 1134977603 889551449 1086492704 1091509861 976241581 1348154322 801373174 602172435 843832781 742565986 614109182 1012902843 788354275 572054022 815468278 681069209 444044580 564273503 AMP 4092394 2800141 2349609 2187995 2590116 1960084 8467816 9181973 5000127 7803686 4083987 2309380 1216870 2857996 7705082 4780436 4546801 5341567 2872106 2548217 2773939 2980143 3230767 4779243 2698535 3276645 2228443 4024819 2849066 3931081 3770429 5799517 5906535 9477558 5632893 6354071 3324607 2971331 2385916 2392359 3440618 2443687 6468035 2781610 2777872 2976181 2441097 3182168 3936062 10950353 8144413 6440396 6840732 6926009 6249577 2853203 2878610 2479314 2157111 2558232 2008679 2603879 2294490 2755682 2355605 3059522 5703542 6156900 5485249 4966602 7683556 5926963 3125615 3285597 3574231 2750164 3552489 3162075 1985059 2604105 2709359 2699407 2329187 11419043 6845582 5954119 5759086 7031229 5596261 5344983 AMP +1 53314 57183 32860 15239 35689 21669 68955 63388 57636 66469 46738 54380 4702 10492 26494 14337 8808 9087 40631 31829 82615 91105 24231 28004 23697 11475 16601 48045 55333 39450 5023 9911 14923 17497 26617 68511 47998 64911 29455 85145 23927 43078 44431 26791 39475 20199 43155 13235 19081 14005 9429 63977 37746 72016 78846 34463 52154 25050 14189 10807 76688 45529 43780 10961 8182 13064 15897 28260 24636 52490 72329 56021 53723 83822 83624 9667 19745 15388 39484 41608 24869 14141 13572 26490 6407 9117 AMP +2 6740 4972 4749 11425 9154 5489 7416 4400 AMP +3 217060 20822 9152 4879 8509 22956 56512 8701 18727 6033 60884 15899 43104 12693 138013 7718 7176 8832 78370 66748 28270 5723 5146 48160 16877 5738 6482 15278 61384 13923 30200 4200 68687 14693 6288 49090 73611 94394 18026 8040 23228 13905 74837 12313 126381 10980 21364 77158 7984 8400 6064 6049 38576 125107 106957 6620 190766 42758 24417 6033 16088 AMP +4 6682 15862 13162 6199 14074 25410 9949 5561 AMP +5 5376 65037 178920 108690 144673 38626 77930 213845 310653 469540 536824 370157 330114 91779 64998 59064 93228 209480 153834 602640 454609 388793 760287 385219 462873 90109 130876 83998 87582 51486 46013 268798 783979 614153 481667 545109 475490 4421 167847 61789 69260 195541 169280 147620 456953 522795 336810 376221 571097 496318 88837 102722 97469 34608 107824 110582 653055 414818 457012 532083 268275 351848 AMP +6 5943 13581 4716 7539 8701 3776 20509 15364 11881 13964 3447 7170 6276 6142 14629 7292 AMP +7 5880 5490 35999 4507 AMP +8 16607 14409 46122 21576 21487 21630 13907 78127 11956 10729 26079 28393 25684 10860 35015 23035 12907 ANILINE-2-SULFONATE 3172 4543 3551 9198 6541 5564 2992 4865 6035 8750 6962 15246 3477 3580 2592 6091 6327 3558 3835 6979 7897 6941 3325 166629 9174 6402 3343 2302 6582 9839 7787 ARABITOL 1824185 1419331 1190045 3685604 1315223 1020540 268202 557127 619675 1182900 414178 381085 2796251 1225994 2900670 3415617 195006 169261 1588482 1662482 2164557 2255929 1985943 3473853 593971 690551 943467 852877 723650 809240 4367268 301138 2249943 691531 222593 2259468 2048361 1715216 1676344 2029418 1619694 2015843 1124776 629642 595253 1031729 621240 673663 365016 807632 792232 334197 340616 428525 2838735 3528885 2424433 1994568 2078063 2202904 664814 761554 842260 874954 651382 1271446 547303 490641 3511138 412427 4156855 547572 1889339 2164588 1993647 2531800 3457319 2644574 597738 660048 858938 751710 805645 1919782 537270 413723 526685 478796 415471 371703 ATP 412837123 235944677 155132797 167037691 135807190 143074688 117110631 226216303 220483705 271131502 116948979 146415419 63544864 88852128 117444741 119299335 74401890 75079733 166058049 201612047 344727084 312179198 292238519 384455032 159531130 169919869 217149545 202408218 286729861 294903542 190205150 75912484 90188101 198162256 93595940 112978586 257488654 210822291 202191728 203820129 207008180 215112445 245781254 212978140 159749483 242533897 158988222 167916503 104071461 223603405 176068289 97759834 117947583 112916240 329348402 387888062 411295371 268654385 252078353 248338544 177535339 187012681 224491980 277943130 210626866 316846991 120548769 125278370 96123219 110255368 165273979 133322263 220893777 261120473 229341827 265555255 416933544 351885652 171126176 157642577 189053997 169697269 183370384 468226194 166401645 107399933 169937084 127245805 98810458 100597194 ATP +1 112860 30308 25351 63688 58136 197942 73016 58992 49469 53542 74564 65046 15077 44052 46404 110401 12465 23641 64366 96060 47893 50690 77763 119221 40874 21022 40985 122777 77741 57964 72197 10828 82865 64647 48072 22366 59390 54140 44221 91990 199381 70472 20090 48793 25304 46757 110066 77366 86357 77994 33342 20193 47115 65322 103337 45342 60046 61545 89186 146968 97216 86072 49757 77484 42897 92966 29604 70722 70813 66708 89976 56484 84633 180065 149161 74632 62924 26743 54943 48995 86598 30438 70501 79587 67858 74583 23519 85328 43935 ATP +2 47790 3818 3965 6526 4677 17713 13355 14661 33751 19260 12343 37837 5048 29228 8262 17589 11550 12232 17179 28807 13763 55165 5137 3825 23588 34196 21128 28679 44421 4530 12740 15156 41014 6906 8748 4854 26349 20151 28081 4289 18294 13245 15061 11061 3842 46810 15799 3520 4120 17461 14859 43294 11905 8474 4304 11098 3532 9964 18809 30085 22785 5529 13225 5152 13304 5082 14856 19768 18045 29519 12761 40205 11626 4378 43427 8896 8497 37917 5087 6507 22455 16529 24934 ATP +3 18875 4373 4829 4264 6390 8186 7385 4934 3856 6815 4543 5819 9770 5151 4106 5335 5905 6439 20060 11200 4026 4476 6687 ATP +5 8075 12859 5746 28236 19180 62923 89598 43585 43614 56162 420158 245022 242821 267374 558280 246911 4489 5113 5317 10677 56896 52966 54562 28117 83078 128851 417156 281847 324582 657792 473445 354967 6594 4732 139798 183418 101479 95156 41296 109963 311128 255178 322177 287027 328535 314914 6086 5160 4371 96631 187428 65578 285268 37593 105636 359827 397303 155142 370465 426841 626413 29633 5709 15881 35264 31156 32352 70222 29853 30985 68785 283517 295290 365360 348566 553013 555674 ATP +6 15364 20832 52489 55448 50876 260532 76138 287788 85091 327349 160639 44265 38053 21313 39233 31724 29325 52813 80721 104671 18367 18209 91030 29652 55173 30373 72958 213532 21534 ATP +7 51832 20388 54754 31309 AZELATE 8950306 2806317 3764477 4065545 3094839 5968088 5438917 5745533 3498682 3479380 10590222 6760889 7144774 4624246 3700699 4663031 6015703 16420870 7729130 4612183 5068746 3885933 4621336 6408384 9510245 8397869 4427684 2804804 2927073 3331462 5424403 5007476 3992763 2938267 6483393 3325075 4349666 4184418 5698114 10262492 3641962 6350615 4791524 3573399 7264031 6699162 5375777 8221821 4694811 4275746 4281022 6330622 3301818 4794407 7091154 7672436 9281594 4102747 4906898 2911337 6707093 7532630 29365515 11057241 6478083 4793278 BENZOATE 24152345 10956708 6496440 14906187 16166276 8771356 6552211 6555893 42123983 23183404 7761247 13164875 23027512 20712016 29657627 22051394 19630147 13083548 15487511 16402369 20473250 12744868 15376741 26302672 8147732 9287079 12898143 26418652 9766638 10847321 34962862 13794822 15310065 23392227 15379716 23367735 17524888 17899881 11911465 16726452 12675525 23416317 21124378 10468057 12186940 19672918 4573995 7904942 38752240 55070329 51563282 50155912 25941693 19076229 24543790 19643369 13276520 6405695 17554960 13022461 5330973 13178878 8273362 10372072 6293322 11615703 31948372 28470411 25487324 15050697 13423076 15372116 17566511 27706351 12425393 15267142 11117682 14020458 6387712 8680696 9153881 9229816 9765067 26070879 24937409 19336739 52166393 28054126 21208501 50700831 BETA-GLYCEROPHOSPHATE 17896998 9391938 9026647 8363403 7545962 8502526 3984679 7894959 9777117 15248307 6797004 8799902 1433056 2191694 3284920 4998541 2851924 3421333 9403198 8975486 18435282 18487885 16390083 29314719 9261613 11451313 15500868 14614443 18750519 22048679 9641809 3624407 4763729 11183943 5517661 6146779 8757717 5578019 7698410 6931279 6432367 7803184 7548526 6082234 5051845 9773109 7331325 9446175 2245883 5691448 5097308 2977532 4081237 4761348 21308312 20396667 19082702 15753780 15558832 19152298 10196952 11065519 14485704 18422142 13858614 24318157 5634228 6190351 4922446 5692833 9326921 7872310 6994917 8116130 9359956 11922655 18599260 19399522 4357686 4763571 7115460 6809437 8291553 26029165 3720295 2508001 5145814 4335984 3898416 3985730 CELLOBIOSE 203676330 19471330 19954470 155576384 31827238 CIS-ACONITATE 45362962 30106900 22497506 21905360 21862593 21218921 18314064 22885061 27028853 32249371 18807313 16652421 8422718 10212054 10606749 22752689 7649708 7096495 29884388 28752144 48166404 34601330 38679881 53899595 16614704 19841687 27919256 28141929 25690252 28420981 14907886 7106081 8528963 14147377 8068576 9262909 39824652 33524807 31516801 32298123 34213384 35240796 32338062 23550879 22009951 24848669 20109413 20217937 11572646 16562539 15808899 8752984 11106949 9618061 42943917 57181776 48024620 33329911 37527355 35896609 18682175 19738854 21265567 22760671 20103308 31843194 11620899 9248473 8474489 8132293 11539343 10199863 35763396 40550089 39008948 40129213 58231687 51667216 19759504 21019179 23330811 22836382 20121271 56617787 10325368 8727247 12517656 9942812 10709780 9232300 CIS-ACONITATE +1 5218169 4110619 309463 3161078 11293591 11850221 12978982 7838535 6684827 7118450 4116589 4733840 3783660 5252553 4864328 8286495 11156544 12510329 8138365 5130916 4368924 3917794 9879039 7565271 1772759 8818961 8876692 8127957 4276050 6849063 4257941 11034660 8319016 12264676 5098874 1096169 5946200 4702590 3811536 7424328 8599354 9846418 6475409 4927773 CIS-ACONITATE +2 19195926 10343201 7229908 8463662 9996213 7874401 15537920 27617177 29817240 33638435 17685599 19891244 14247726 17856822 22574045 26101719 15387466 16864109 11723275 13494303 19232257 14016259 16489348 19178338 21347340 23190309 32720070 30615435 30731341 29767931 34458270 16248056 19910171 37468633 18913568 18091853 14179415 11344336 10528182 13316595 13114160 13574917 35151812 28447364 21888843 31119300 23429253 25842325 22221350 40798382 36749078 21035067 22403418 24712577 17245468 20664503 21379205 14136304 16927294 12345253 22993513 23562794 26794351 30472495 23425251 36589420 23905496 23394829 20467041 22938155 28355971 25230068 13997729 16969197 13527535 17469117 24360395 19099686 25594750 24280585 28748999 25447608 27563931 64868453 30330202 22447435 32045447 26258976 20570882 23923528 CIS-ACONITATE +3 2111504 1329702 1115830 1391757 1622768 1208352 7004202 12891404 14206068 16580926 8709981 9241964 9583329 12563118 15855293 18783386 10825997 12301316 1807042 2322472 2781136 2354131 2244283 2917914 10710340 12196632 16400143 14201497 14394160 14382453 24798054 12604275 14922147 28462369 13777113 13937733 2152906 1858154 1485066 2009372 2060430 2183298 15865081 13421659 10261397 15563339 11721620 12483176 15213275 29580398 24757750 15434202 15504400 17382528 2661286 3055606 3524677 2055591 2114270 1713519 11298076 12123237 12873706 14855933 11709009 17884462 17517025 16794337 13950974 15871016 19505361 17347335 1883981 2594355 2016776 2765894 3666814 3036157 12292617 12477214 13977569 12423855 14246013 31690981 21032029 16116473 22755849 18760508 15090980 16893510 CIS-ACONITATE +4 1588659 1206690 788585 1119083 1269547 1008278 5027175 8302184 9989309 11186657 6067762 6802764 10211488 12633813 15235742 18869619 11453879 13145217 1292742 1832738 2033849 1775978 1934131 1907499 8347985 9147570 12762895 11541629 10672257 10782716 29378030 14374562 18064523 31901718 16587645 15423897 1447689 1171783 1129856 1638558 1438853 1472344 12211804 10627990 8306284 12708738 9938591 9990584 18171468 34944591 30015351 19111356 21851672 22623983 2073146 2453571 2884658 1806334 2010348 1471085 9181814 9474033 9867159 11692916 9771112 14625913 22785684 21740188 17926471 20805606 25945882 22169412 1545744 2125430 1539919 2042809 2841039 2062812 9317718 9484614 10199191 9707407 11174862 23616090 29135889 21385104 28871469 24735773 19418871 22345484 CIS-ACONITATE +5 424330 336422 169270 403023 517785 325783 2542700 4470581 4808172 5142308 2750819 3302003 6456087 9152043 9894144 13213617 7845119 8882929 328594 466201 438797 379228 440566 457970 3909832 4530297 6112609 5237928 5264880 5169156 20630402 10094878 13103350 22902952 12565374 10631244 399697 376429 315215 481285 369293 489381 6122952 5807846 3917780 6359514 5046259 5100453 12912849 27169361 21195007 14198300 16808651 18401251 540355 854707 788729 620529 606066 412747 4769289 5375697 5086481 5819548 4952342 7241035 17287766 18225679 14101647 16875618 19402585 17566490 329798 612163 369797 619911 733916 612599 4810483 4878542 5029875 4940347 5627834 11874157 22571350 17643910 24250045 20113120 15095525 17537579 CIS-ACONITATE +6 5659 10116 39116 22520 446971 765481 839395 974559 554936 611304 2535066 3472974 3578420 5076807 2952288 3459040 19004 22513 32991 13778 809086 972707 1083971 991219 1138973 939535 9254085 4307025 5791632 10922951 5910449 4199626 6440 6952 10951 5454 12165 1294721 1261318 811421 1210796 1068938 998571 5647627 11857967 9231523 6788154 8733811 8342180 8528 38216 23384 42190 8668 22097 1085946 1175236 986587 1253769 1229026 1467662 8475810 8613688 6441590 7587854 9321900 8283273 4421 23425 5353 5133 29512 40441 1092967 1101847 1000214 1072484 1269173 2374873 11421344 8434429 11711367 10005217 6925446 8684553 CITRAMALATE 220757767 176574985 154833677 150785163 139870985 112240143 149436601 170434099 174137884 197200523 145375262 142081472 89884076 59550710 71121080 68463475 53568241 56466509 163788151 162931445 217566147 178350039 205982405 237910258 155099437 157603625 158708613 161177674 194278680 177917467 92697571 81727397 59929324 84313551 61130309 71402674 194378216 142318988 159537265 168542032 129935809 162606053 171848790 161436533 143745509 181426776 130884018 158606034 97175555 91408023 80430635 79784719 66145551 68079700 248029304 248912079 201457820 193765408 168943058 211997592 161798512 153013834 166861786 179131025 164560000 192922696 69928190 66322206 70354544 69254410 75726034 69763519 148337399 150550777 170975231 202989138 220927743 207942414 138668663 153495035 162400225 158400338 169327382 264881826 71752901 88121669 67682874 91867634 70098337 61438351 CITRATE 1971518311 1429012593 1039929751 812951111 859680610 876906689 659231616 840757275 901151087 948382686 440494918 559257046 235359622 315765682 423952631 398113375 255512611 248032703 1134380068 1129935426 2043875080 1655376660 1538692471 2202453915 501089806 563148255 763845986 738549527 869918611 870211112 447223570 232633687 262944693 499351970 266493363 364140942 1460608136 1272855862 1416479625 1318040611 1438599101 1381414621 954793277 813251597 636101970 864741924 562676165 676098776 358365334 505159245 482149826 278426532 281297781 307459624 1948393043 2114874791 1957605679 1409684504 1529987001 1506625833 537887083 619179417 788759218 864208513 663627504 1034514192 340244355 292897903 278600849 304072630 394372864 332648354 1305522056 1559530770 1602172308 1628157582 2359183604 2062691559 599717233 618815714 757626389 643210535 625074283 1507355540 386381220 243335331 359615673 301045041 287607629 270581570 CITRATE +1 178935574 123828987 89374422 81671686 89758278 86038989 163693758 266475442 277439838 313192516 155376865 190744442 92303072 132378911 169828092 167676145 110621713 114588227 110173719 120495893 186446018 172030448 149683056 193920136 200049647 207071178 275539603 264120076 304780241 320237428 219146700 110517721 125497776 236856889 123654971 159588852 130713793 115171641 122666704 122579830 126379580 127837344 298295267 252437991 194891895 281649697 194360304 219110910 134348446 223180136 209773069 112078715 113564996 128477255 166170622 188573570 176652064 132482595 158484102 133200097 201993796 214172927 258049399 284841853 225285056 337738954 130376748 129336678 111632754 123104238 159633186 134965511 125478357 146390017 138823343 156853161 217945810 185424151 208415753 206371807 244976948 215579250 221088532 482000224 175079894 104831108 156117596 130969088 116726240 116864222 CITRATE +2 451329868 315879770 206532229 232146908 284867298 246305261 440483586 722131867 771861385 897598538 434741493 528397505 347599156 492418605 632318729 641645605 430669672 452446608 285391465 350447683 518328598 436630642 430634351 529775639 576441345 593652051 800119224 755043207 880639658 860442464 909343974 465070669 522216889 1052633666 523873655 636695943 337171813 301340604 292139618 336255122 329679724 348434549 943806178 786792658 607907202 913203132 632062521 689725053 603467591 1122606332 945339942 526339912 572432011 628233402 460232466 560446415 540599222 394535060 416788231 353258567 630192321 680800744 782567971 877693945 707455843 1086963584 639197227 652335717 539543412 618906593 829490260 674605192 342115315 422064577 339571930 444819286 634954587 537614582 653181708 651317539 746133045 658396011 697219019 1539768127 792358275 544355826 791948309 646495797 545335166 571022807 CITRATE +3 60725176 54485037 33495786 51478424 66061412 52813590 199823126 335800803 346486644 419661487 205768521 243508695 229318255 335404676 413745129 443572601 287804823 314082186 45918892 67375383 93962768 80477255 79345791 92207737 288022988 299866650 376936855 345118976 420451955 408641042 652229146 323095262 376210109 733906172 379238923 444726756 58420727 62901555 59629113 66097423 56676384 66514010 424905706 354378732 276653109 415878320 304036666 316970546 387056970 736078218 621064566 357393462 399148072 421760442 81247517 110269005 93733207 83717375 87593505 64768488 320204312 328287726 359476428 412080012 338900608 496118567 422641601 442068864 352778017 405427676 538158069 446904316 60908711 79592719 55930787 81474726 118080368 104229704 308170532 308038016 343896678 311517490 335069476 709219405 535995287 367106300 535587027 440985859 372513251 382093757 CITRATE +4 43044777 41944082 27546728 53571101 67010829 52303492 157645734 264473828 278030244 339685085 158230693 194164617 235526850 342153984 422932209 462672791 304143060 334488275 36293231 59017296 71295432 68171305 63660211 76413108 242027376 249691288 321136589 289037586 355304566 334254172 725065057 363624314 420032530 826628655 435293064 471711595 43743848 56144484 51159887 59817510 44265993 60341510 373801920 318859290 239858827 377932086 267177018 277868598 453369929 875535370 704209767 439975056 518646746 523771094 62862535 89967838 79141997 76744070 79733686 60620577 282156619 292637744 309572431 361433812 304338576 451344646 531165233 552535243 438481697 505730073 679514884 561294974 48050225 71925505 42660140 76600705 96044758 84634041 265822504 269201214 296051399 267920941 286696177 604405611 685502774 477854946 681189633 555503415 466710204 480852098 CITRATE +5 12244200 16739748 12783953 30786526 37770277 29486324 76738565 129672819 135887422 166489019 83661630 96606608 164122837 244962418 294769634 331708039 215656706 242483604 11189931 23696691 26092693 23376704 25641500 25372063 125824103 128432164 162335072 145145070 177312923 162701428 557225113 269050424 318825989 645396135 334785212 342437966 16197502 28828534 26123930 28008754 14365253 28341158 194776627 169541722 124935076 199958779 145952459 147258800 340331967 707406483 549535828 344267839 427444649 423387518 22140944 37606879 26299572 37394013 37727737 33143114 157611009 161156373 157082860 188287377 163868220 233093973 432203662 451977611 344903880 412246313 557424208 456107376 17302548 35030668 16630752 31383113 40239729 38934592 150514461 143255368 151029606 140506915 159434013 311545461 565980951 385134820 562817745 460280424 363573919 385621281 CITRATE +6 621133 5315397 4293288 13202717 15320400 11197835 17677901 27994216 29999092 37953127 21105550 24550714 68931363 105190892 122424691 143643145 96533183 108534370 1571542 6300581 6605709 6205149 6684537 7402723 31465286 32728526 38860131 34414369 42832148 38485207 274863209 131863843 157888841 297596432 172434300 159510527 2622998 10014864 9476924 9630873 2491011 9256421 48092935 43423673 30783705 50185402 39348584 36970090 164548734 331659297 267201191 178871974 238981919 226793157 2647902 9936762 3488024 12003968 9005953 11975486 41001842 43576188 38888818 46904665 43450262 59225911 227394516 246255323 177623578 218199654 294256754 237993884 3525512 11339654 4478993 10340157 11927762 12741924 39408289 35976115 36771683 35201813 41392428 67223017 312480120 216296888 308202215 253349134 195883407 208093047 COENZYME A 2406751 877695 436055 955038 232390 173052 106570 615725 632899 20749 163994 90691 108201 77248 224605 300153 111366 339746 193438 354061 514318 700444 1249205 535456 253903 60244 581374 25617 648309 243815 295656 85706 152140 74104 56677 112007 2109207 452645 578802 278969 287821 153799 11563 361671 231321 411556 382306 105830 198840 296597 725431 136842 52472 497088 18234 1223630 260489 1214646 575942 132766 604136 173962 283195 1151178 776578 388872 277206 362680 118365 283020 414891 492942 964539 1002109 306291 636721 325906 674693 432825 85196 298137 316950 110895 20170 363197 142993 444478 188168 75136 26094 CYCLIC GMP 9646 10876 5439 6965 10406 6987 6423 12768 6460 6447 5099 14089 12455 7145 17528 5819 11551 7722 9460 8365 6619 4701 11326 10099 6823 5162 11944 6144 7521 6443 4964 4935 6053 9554 11957 9529 7224 10067 5644 5570 CYS-GLY 42324 59261 93349 19644 17771 21630 27616 14651 7793 CYSTEATE 37954994 27756134 19189931 22102962 23852794 16731915 18586196 32734860 24914785 44622440 19775562 18506202 11738871 15437536 23428784 23939747 14892284 14685066 23345197 18797405 28418175 25451236 24310304 42890140 17045120 19764200 21648678 18327867 24447268 26574564 22971433 13305235 12744641 27436270 12467035 16203351 17296284 16553176 16478174 17200697 15745912 16934223 26218618 16099242 13568755 24205008 15885430 19160011 10083466 26947155 21984434 10185777 12026623 11771422 24230643 31290991 28607973 23083068 20196747 23348653 18612351 16309856 23038027 24296037 19349246 31432117 15493236 14157288 12554955 12674342 18162580 16235106 19361879 20946465 19489425 19585851 35249479 27428869 16076235 15714882 17818073 15661746 16694848 44759718 18483699 13691983 19121892 16163228 12878810 12990775 CYSTEINE 14918 8737 11531 6538 8772 13783 9638 31922 419574 13718 18859 9582 158535 107615 84552 12361 42278 106483 29957 6672 13379 7184 106939 24833 190455 4958 1417155 81952 462350 130554 37659 39866 563433 74368 269366 5278 5244 13987 10572 4614 11517 1830821 53329 20535 71264 3719 36050 131094 258170 72210 95589 181283 13355 1778156 16134 34533 9868 108380 151714 8473 30489 13207 9567 12946 97631 102565 94067 172448 57401 251092 80123 10195 4130 41617 7026 55856 149622 13429 68862 166315 10281 54233 1130155 31601 93655 77868 94730 253374 437553 CYSTEINE +1 3505 2500 2992 10864 3141 3387 5243 3851 7092 3379 3315 2716 3446 9114 10649 4123 3659 3545 3554 4317 4758 3433 3555 6694 3153 CYSTEINE +2 9185 CYSTEINE +3 3550 3705 3201 3882 3771 2950 3662 3088 4214 2811 3935 2634 2960 3740 CYSTINE 23986 77064 404314 6723 52811 200467 460790 383561 1278351 6881117 651141 891052 121708 2654976 2043287 1650057 477895 810286 1724608 666362 421845 414425 181950 3287592 547233 2958930 108917 25723079 1189097 7490885 3190652 1000684 695178 10472467 1953669 3067234 11344 139049 471240 436008 139418 439999 33227373 1185007 1180366 1765895 214813 1088075 2326539 4954693 1550170 1743877 2595157 413245 30843832 637168 1224671 105474 2579070 2714342 136550 630878 496956 307983 495913 1687557 2372024 1497104 1437332 783771 3557433 1588151 124286 148391 1004616 255457 2125465 3470034 511129 1547116 3297112 350685 1009308 21051747 1569156 1776081 1926580 2309641 4575241 2845460 CYTIDINE DIPHOSPHATE 4194291 4030755 1742953 2154653 2926268 1564269 3558462 5809947 5698342 6412825 2746395 3057073 1052504 3598713 5421894 4453518 3785960 3623338 2826002 893168 879806 1105042 1194750 1884806 3360037 3799942 3911555 3675142 4180488 4996972 6663112 4004485 4178863 6701214 4187087 4992592 1613615 2031053 1903478 1039173 301868 881392 5244371 3000895 2664068 3620894 1790288 2628261 4295372 7062721 6039890 3942934 4588114 4533414 3098109 740965 2223497 1482261 3016451 1719188 2486106 3085978 2415810 3548013 2349147 5070728 3742740 5170584 2771508 3894837 5811282 4382585 1411380 1895827 1297232 664768 3398895 3934278 2865492 2800398 2245266 2777980 2256611 8317041 6091341 4598090 6513111 4905636 3731253 3780784 CYTIDINE DIPHOSPHATE +1 71835 119542 25282 22814 126326 64942 92420 473482 205017 164581 112943 38655 110425 249244 362882 193966 102155 145220 81592 49887 55163 10846 9186 116023 62530 71151 68144 69615 135175 436675 93234 84759 539060 116490 292564 27162 33256 9699 28111 9446 233584 83998 47903 53125 30835 109996 220471 366449 130593 220212 171401 112312 49967 12248 20982 10669 37154 11708 157321 77934 148771 91601 29512 134410 247406 283011 130881 111381 307763 189884 10368 20568 16715 6772 45195 56047 177794 55121 19955 41752 30742 363621 383158 288252 330848 408978 94552 98955 CYTIDINE DIPHOSPHATE +2 12324 5465 16593 26622 14630 34127 7498 5112 13911 10637 9718 13751 6620 8937 11248 12692 9820 13367 19968 8455 9525 12440 10814 13300 11802 26194 11189 19325 25502 8664 9575 8455 17368 11585 9989 15106 24648 10680 9360 38570 9904 12543 9772 6434 7893 9211 9883 13954 22253 20666 25843 7896 CYTIDINE DIPHOSPHATE +3 8528 7002 9639 CYTIDINE DIPHOSPHATE +4 6049 CYTIDINE DIPHOSPHATE +5 7608 8273 10092 10466 13609 8238 8304 10433 9397 6685 8968 8578 8338 6462 7258 24224 8534 8224 9552 11609 CYTIDINE DIPHOSPHATE +6 12646 CYTIDINE DIPHOSPHATE +7 7642 7816 9386 8999 CYTIDINE DIPHOSPHATE +8 8741 6358 12218 CYTIDINE MONOPHOSPHATE 1335976 1118245 818847 739460 630079 659589 718591 932050 1036385 1147255 769203 716406 581492 635874 618037 708629 676192 540136 706683 1607805 1051779 655378 805994 922064 721584 1063389 845362 823291 1162132 1206373 1146728 714411 525022 1259545 844937 675366 887196 944241 643043 654967 790450 804623 1126855 1087638 712641 1139498 781929 752055 776476 2673676 1171551 703679 922589 625634 1083904 1256196 1008392 647219 1003808 695953 802067 1035065 1071430 1347900 931436 1255544 829649 1090818 809694 681763 856258 765986 625644 1155486 639368 777277 1137673 911312 668904 995257 722014 677945 604896 1649078 1047739 727248 902663 803500 758490 640089 CYTIDINE MONOPHOSPHATE +1 11822 9677 12250 13019 26681 10931 22228 16219 29387 13847 18817 22112 12526 10156 19366 16794 12459 16692 18138 18213 19148 12469 18343 16861 13896 12351 33140 35462 21216 12385 29034 18679 16104 10677 CYTIDINE MONOPHOSPHATE +2 12282 CYTIDINE MONOPHOSPHATE +3 424952 8504 23577 1042114 18782 23850 1235008 CYTIDINE MONOPHOSPHATE +4 8129 19445 9492 11939 54360 8580 39028 12019 16438 11781 9538 8858 18531 22648 7179 22880 15653 37131 54121 16968 25010 9156 8216 10544 13308 67648 23887 30768 27618 48193 16296 31344 19384 32075 24804 15300 18770 16556 11915 15456 9584 38025 18315 54578 14699 11822 16412 CYTIDINE MONOPHOSPHATE +5 18592 8532 12677 8555 17215 115076 14022 96956 89664 110644 11943 55111 38220 65414 46170 13688 8377 15920 17448 12296 19088 CYTIDINE MONOPHOSPHATE +6 12572 8709 13202 24665 9865 14992 21700 10175 19721 13190 10274 12588 8779 13245 CYTIDINE MONOPHOSPHATE +7 11912 10946 15237 6830 16066 24349 72124 43270 11846 16402 CYTIDINE MONOPHOSPHATE +8 12325 63994 13943 9958 59244 10401 16029 12320 13158 10858 13307 12615 15695 15703 CYTIDINE MONOPHOSPHATE +9 11610 14358 18422 13852 7929 11157 10454 13228 32067 8685 17387 12210 14562 9976 12991 14137 11994 6655 12072 6755 11114 21097 9851 12099 9053 7271 17831 10146 6430 9914 10286 10588 13607 20451 16294 11068 12816 10811 8145 18873 13516 D-GLUCURONOLACTONE 22556 354960 270138 D-PINITOL 2352886 1082379 D-RIBOSE 5-PHOSPHATE 3894649 1114419 913246 892669 590715 814786 4806269 1245343 935043 942753 771951 310310 263808 1122849 526780 2080270 57045 83307 1792192 864811 2790668 1855879 1575880 2109141 453954 1075720 877762 1259810 1067722 1492601 1461431 64459 602525 272961 173929 296661 1960892 1351456 443532 964316 4542810 1178620 1304770 907350 900127 876539 630083 1334967 158550 1225268 394427 209421 1270772 191392 2923351 2133954 3030930 1199398 1354054 2013475 680245 444420 888439 1566750 678756 1705369 344713 96743 237584 151567 910047 1815345 1170624 1440637 5997923 1374779 1946443 1248669 935846 570709 994759 1194296 749090 2487942 44295 164106 1415216 182475 573817 184553 D-SEDOHEPTULOSE 432421 242192 204482 154996 83989 129544 27138 150323 229953 142799 28510 49256 10326 10617 352591 343038 491532 569429 464277 1426557 199950 209997 254292 336691 418618 361415 12713 30500 12819 206808 19429 33723 596283 424030 395297 382335 253065 409878 525843 257332 268670 332376 144782 56576 26149 342445 219293 53362 28857 62867 801879 691427 668044 611178 548668 647004 319770 89355 360986 546421 264508 779641 139853 42838 27002 127166 27961 198039 572758 560931 443593 509279 643160 711280 279450 228834 282832 228202 188590 995426 153808 72837 172340 144638 103898 111198 DEHYDROASCORBATE 415038 192233 389084 515707 915253 1395908 13232 9115 15386 13735 20111 7886 742366 85435 661978 1900603 2463331 7415 11482 6923 11412 19273 350196 588742 1188397 737093 4403 5921 6809 816108 93516 1278131 1427892 992970 7946 20463 4315 7302 19959 13367 640044 727617 10842 5087 32194 20699 15121 5509 DEOXYURIDINE 9736 9011 12138 11793 7648 29985 10013 13623 19847 20290 7956 26348 41677 31690 8900 69818 44625 6688 18071 20286 5388 9235 27384 28276 38157 28942 5326 42089 37193 58794 95752 11357 42014 94356 11454 17538 11212 11514 11636 22518 6466 12756 18533 7001 14096 27953 33101 11539 16442 121077 120288 68948 19199 19522 14024 7674 15690 18384 16443 19447 8154 23124 14308 94389 120588 75070 65165 69549 103966 13810 4745 16074 15249 6090 11973 26613 50988 14877 37283 69404 11764 155844 101548 162292 109093 176035 131513 DEOXYURIDINE TRIPHOSPHATE 7868 DEOXYURIDINE-MONOPHOSPHATE 582714 390708 164687 343320 151065 237508 53640 184729 249110 172047 111411 97679 56720 19300 71789 68816 28666 144793 442069 562531 761037 736634 681410 847843 197595 237898 337231 364842 500597 571348 306136 146172 211223 239573 167416 175970 624657 638638 446777 585650 683552 668869 173287 345136 214414 316161 280557 229781 154645 426221 161466 224451 278692 252576 601760 766702 913451 776904 517249 555329 222724 178048 431375 395239 298904 264619 226423 278295 89186 199316 408256 372675 481964 619032 480736 660734 995127 806676 303461 172967 287083 183564 360214 566148 350726 288613 412800 343036 180870 225848 DETHIOBIOTIN 15690 22278 26308 25428 16948 36300 108192 102035 113511 11668 89684 54832 58476 49565 189251 11358 55108 211478 104243 140913 51180 169655 179842 89910 118386 159500 154994 224598 105798 265920 146343 341978 374145 456812 378687 499042 188031 140535 136176 155034 143190 170920 35207 148907 144693 24270 127373 125880 218122 243932 372499 467154 419393 501384 45031 116358 235410 182040 213929 167060 164837 125319 91934 157614 133067 58579 552281 528601 561164 303141 671659 704816 152495 193739 171141 198303 82735 258473 150722 152737 110880 173337 155340 94710 577535 577568 395471 551511 420043 512146 DGDP 883031 258401 DIHYDROOROTATE 550983 358498 411705 728176 579473 528252 843359 382643 341768 487919 637219 821931 602370 474372 288421 781576 639806 583730 1925235 963750 560690 2134778 593809 358883 611853 617664 541698 937275 484935 606796 522718 398433 626868 DIHYDROOROTATE +1 2865 3370 3351 3780 2625 5840 2988 3130 3816 8885 3410 3511 3080 5388 3670 3855 4045 3230 9897 5420 3763 4683 5474 4499 8187 9911 4590 3407 5430 4460 3245 2723 4765 2975 4957 4176 13108 4409 4177 4054 5503 4737 5446 3783 4175 6109 9859 5224 4147 13686 4406 7192 3724 4011 4894 4701 7255 11834 7799 7948 10500 4446 3827 5350 3130 3999 4352 4096 3229 5053 5797 3517 5239 4086 7429 8689 DIHYDROOROTATE +3 3357 6512 3788 3813 2575 4055 3031 9023 7603 6924 4682 4066 5349 4288 3920 4917 6714 15669 9383 14463 5019 7484 13877 12212 12388 28455 12458 24268 3309 4146 3250 12241 12641 10323 4985 7018 7979 DIHYDROOROTATE +4 4641 7461 3594 4534 4493 DIHYDROOROTATE +5 42989 35678 32498 30208 56167 72034 39845 81062 13461 13893 26463 11777 83482 63344 38396 45724 40843 35673 40585 26719 29713 30009 21847 24889 44146 37022 51480 28820 12058 53074 52823 33468 89134 68590 15705 24164 29944 19234 31017 28244 42682 28407 65943 63613 36757 74039 45404 40732 22438 46585 32839 47042 59902 65930 40077 45099 23188 21917 13079 48171 50635 22422 22929 25155 34429 85351 127121 24016 33868 29969 47727 42203 29307 29667 28909 17435 13510 32677 30981 34234 29163 83646 21156 128815 29863 55358 40174 DIHYDROURACIL 2246899 DIHYDROXYACETONE PHOSPHATE (DHAP) 2071269 1559555 1051618 1181116 1187613 1005890 778453 864744 770687 796920 650148 514646 500529 621234 523576 804181 536125 440291 863642 1199597 1174439 934015 1088556 1101936 490903 508065 643809 506533 565212 544994 533805 400849 355524 452050 363104 320999 1741368 1434089 1115276 1298318 1519605 1250813 828543 795777 617989 837443 615947 692352 558643 854498 531410 550428 622472 505893 1432290 1730187 1940955 1408523 1070760 1052857 655928 689667 715746 745165 666321 790306 564763 572332 538943 575959 679862 536295 1496185 1986536 1424668 1405059 1956962 1501897 917872 720322 789986 769143 774651 1338815 687596 614799 793147 580108 540561 541911 DIHYDROXYACETONE PHOSPHATE (DHAP) +1 1268511 859878 592518 728636 768263 551156 619122 1068450 666349 1398400 637101 604638 353233 438905 669851 574557 477619 473593 666948 628505 919161 862400 664996 1197676 517538 647692 720442 630205 712670 875061 754313 415325 415643 874010 434493 473365 361319 518967 506942 575801 493106 488312 819249 495428 393815 740996 494402 613018 326262 834835 654468 330532 342985 374041 710756 1022366 778385 677488 662191 737215 589754 491299 726884 717002 601901 1071099 491579 422591 362590 397767 600949 427358 618635 623658 620104 588641 1173397 915517 427617 427334 580652 472995 507307 1434093 456895 452014 619754 458367 428292 396280 DIHYDROXYACETONE PHOSPHATE (DHAP) +2 5689230 5616297 5622713 5826666 5939363 5712059 6195344 4244669 4728747 4206758 5374019 5245297 5793000 5230934 4834596 4948781 5722514 5328191 5707414 5487202 4364513 5039579 4796627 4757732 4816042 4750625 4629538 4529264 4537628 4300701 4612542 5218947 4827721 4155776 5128065 5024121 5501420 5467078 5132419 5536296 5561767 5542583 4674767 4847054 5659092 4731868 5156602 4932401 5062881 4306511 5031251 4816805 4994883 4854727 4557461 4734994 5125958 5199951 5446200 5253095 5107994 4859717 4729036 4744445 4926110 4761611 4974028 4913182 4846154 4843437 4418993 4686421 5106206 5025727 5429025 4855309 4509022 4876191 4962680 5146596 4736168 4879881 4744854 3844220 4647618 4856567 4462768 4381776 5184070 4783100 DIHYDROXYACETONE PHOSPHATE (DHAP) +3 41537717 12194351 4914163 6043258 6822164 3720636 3670190 7010821 8972325 9760645 4144154 5242954 3572383 1747389 2944771 3442655 1796626 1610229 7402123 5965559 9725564 9670138 8854992 17719828 5620739 7531453 11376454 9002395 12680726 14771815 10674642 1946365 2301962 7744871 2267511 3346547 12447236 6453125 6835673 7459904 4777059 6016620 23647082 9212190 6943891 14759277 6530702 8331855 2655664 10750967 6269409 2461518 2842282 2965284 12276670 20732842 23595575 11749021 12574549 9549358 8822055 9040010 12652600 20249227 11921748 31336788 3708092 3772990 2590336 3512326 7155597 4345683 7827495 9639448 7042236 9208500 15709188 12214644 8692201 6506403 7420973 6126203 5825185 28251197 5406952 2568365 4038695 3170089 2067383 2068206 DTDP-D-GLUCOSE 165550 69300 10521 51454 21930 30480 5066 5224 21100 5901 71891 33205 61036 84647 100692 4723 7512 14224 10966 118127 50072 55539 34299 38652 40439 8360 7786 8131 12993 129426 105353 90922 105284 66262 6007 8666 88467 65616 20387 100080 142471 102557 7794 5579 19054 ERYTHRITOL 221678 212068 176815 235265 245109 140789 4495 11636 27646 10252 9188 16002 36717 10286 42676 42256 22078 19427 311191 271118 543537 390874 309716 596189 7292 14987 36312 23616 15135 14641 102534 26296 34210 69068 26557 49947 302251 305338 230767 237061 210114 305395 39723 9315 11210 24180 9554 7428 26831 79656 46952 30240 43872 49080 105120 328782 162715 270079 189377 218303 11420 9253 21869 22145 10078 22901 52046 13703 74267 30554 66445 41566 271843 306992 279939 297669 439982 346527 4937 13400 11015 13225 24864 73963 50285 27542 87758 56538 24103 108984 ETHYLMALONATE 6181892 2480330 2385687 2428611 1567009 4822359 3656299 8394337 1695937 1372750 2157629 4298006 9235678 2516801 1961146 5236902 3572377 1956543 6698137 1643194 1680608 3786403 3898263 4380992 3359985 7775142 1407785 2346477 8954637 3174565 1550793 1584605 2676891 3227707 2511860 2109602 7863956 3317840 2436078 6201081 2194244 2788603 1885732 7463691 5539214 2016315 2770936 2301457 6701395 7872919 4541709 2126347 2542568 2739404 1950435 2511370 2565031 2472371 11562779 3117853 2756823 1253576 3733693 3238425 2231506 3365502 1932504 6242917 3069360 1917151 1772651 3216913 2008860 2019716 12265008 2747164 2041540 3858837 1550804 1854708 1571695 FERULATE 49920 76645 683409 34338 30794 261695 522275 29780 955080 77185 714838 13615 79643 833679 65592 82316 472455 FRUCTOSE 36849236 25750711 24897236 19564930 19993181 17802637 676054 920730 22032654 22339897 46400129 30791111 27034830 58368604 876288 25924532 22023318 26565448 23708767 20667313 24451129 881205 35124779 42559619 26399769 24461907 22330488 27311973 757047 387564 825247 24036526 24700776 24624137 28372400 43724205 31252521 1020041 423721 FRUCTOSE 1,6-BISPHOSPHATE 66294 97617 58540 22692 32679 30365 10420 19216 6121 12830 20175 4204 5748 6089 15991 8168 8317 5771 27163 12489 11679 6281 15159 4129 7263 5024 8046 5984 12489 10244 17646 14796 5763 13147 9240 14807 12425 8946 24733 16392 7147 4415 11080 6631 15169 21773 4071 15035 6637 10917 22843 110785 81804 16095 17131 22713 9690 7359 3881 10504 17615 25438 15118 6572 20448 17352 17298 21464 131587 44908 10535 4826 8555 7697 7919 9126 12222 18109 22021 FRUCTOSE 1,6-BISPHOSPHATE +1 21314 6668 6013 95807 10424 4594 22440 5379 4995 4612 19187 6585 18445 4250 FRUCTOSE 1,6-BISPHOSPHATE +2 17385 17715 7943 9878 13065 54320 22274 FRUCTOSE 1,6-BISPHOSPHATE +6 9237033 567706 46388 111963 245409 48126 49359 238813 384167 238615 127339 111198 124936 149876 475090 215527 357274 155987 179252 114453 426149 416136 288326 676866 118145 173944 441599 270109 873784 1064004 387652 222447 24094 158472 179615 368162 491434 207588 192264 81592 28913 89306 1696201 334481 419152 602036 76674 243001 467724 788461 634991 247837 163593 240607 644274 1596152 2942256 526428 539800 317845 205079 270632 466821 2011878 565723 2406767 513599 280889 263424 347968 349043 101701 258649 293843 200762 292512 954937 774983 287909 215978 268048 142046 312820 1730553 455234 91150 247648 232714 42685 321298 FRUCTOSE 6-PHOSPHATE 5167025 3249971 2242211 2655626 2421123 690489 3707145 5023151 5549901 6730305 3244029 3607989 2339417 3492808 4044729 7677330 2898789 3153070 2573666 2518507 4567252 3646439 3346089 4058716 3382334 3830641 2720052 4766252 4871628 6074895 5573908 3029236 3500909 6440666 3553764 3850189 3349642 2463497 2872710 2537691 2739246 2821141 5171186 4438629 3522712 4945040 3505483 3763903 3726242 6317074 6066653 3391360 4220035 4015668 4329222 4262229 4832661 3541595 3084149 3977489 2372485 3996818 5273379 5283923 3960917 6909544 4438223 4332517 3514460 3821099 5322137 4749485 3164046 3860444 3519829 3955209 5266922 4246575 2925297 2575303 2619969 2829142 3085118 5060345 5197907 3829502 5567087 4408980 3451315 3595918 FRUCTOSE 6-PHOSPHATE +1 899051 252748 58578 21201 35224 241336 343558 363500 462150 200113 245348 190773 212177 284299 348906 168742 205488 499103 168355 218191 257261 278785 308478 253430 228955 285050 305305 355482 452462 386027 177850 190469 331674 224978 246777 237238 198396 240958 220882 251623 207116 409716 278482 231302 317690 206157 225931 232860 421344 382656 198406 279228 254643 334132 72777 334085 237147 193369 312395 214575 215393 309415 373183 320932 501484 240560 234391 190131 215098 297540 302775 211058 274655 230352 296405 519600 355934 341759 226307 290622 201415 251907 531957 317759 318176 366634 303494 202719 213447 FRUCTOSE 6-PHOSPHATE +2 34592 14170 12454 37986 30648 9661 32287 60591 10154 11464 16640 8013 18224 33195 34827 18819 21473 71600 16630 8903 44982 28166 25365 9236 7350 65227 12702 21181 22140 22245 35395 56826 39624 70383 8837 5268 18655 10107 18366 9974 31718 77810 43966 43140 13540 19375 38013 6439 43438 24107 17097 54847 11366 7144 14115 19853 35776 49328 42810 37746 18305 7722 20410 22771 21425 90770 16751 13908 FRUCTOSE 6-PHOSPHATE +3 31067 41636 24196 5679 7050 80657 90384 47508 157800 21545 123598 6852 21207 91831 131292 33926 93636 18104 9082 33963 128837 12503 74871 84967 79787 92008 23986 64937 120643 161504 50034 68020 170965 131559 125445 49742 20903 36340 10637 24923 14715 16980 92135 37875 55431 35403 17318 46710 119223 53093 28602 84098 119939 13592 14854 15775 9672 23526 72586 40540 13904 142188 132454 17773 65404 104806 99774 95328 89347 130784 96959 15496 6571 16270 8969 42093 125243 9035 26552 39371 20802 39411 214946 32143 10756 47717 24767 13559 29578 FRUCTOSE 6-PHOSPHATE +4 27018 8265 21322 6980 26433 62195 22602 26030 13450 39549 11880 6424 26386 32183 13550 15441 7689 19918 18577 19359 19617 23480 22924 18513 27092 68285 12518 62490 14851 15989 15076 9679 18667 7773 15223 14247 33189 44636 18899 45209 17081 9741 31822 33854 71517 16558 7640 26175 28008 11138 11352 15533 11752 32546 12543 49707 17576 22186 39032 8741 37087 14474 23094 21703 46290 9221 9437 12744 21507 18931 19479 16785 10779 38323 71416 24753 10719 24497 17334 9817 30270 FRUCTOSE 6-PHOSPHATE +5 2176033 507238 1554940 1273977 625444 1018418 FRUCTOSE 6-PHOSPHATE +6 10826550 6646104 4760349 4825906 5196229 4333232 4876293 9336684 8318165 10482591 5507070 6601985 5145088 6398616 9029015 11233625 6822391 7626280 5729488 5508159 8333321 7871346 7806121 12097724 6533087 7265347 8798657 6973214 8295472 10256829 15309427 6885734 8186055 16658561 8766221 8556398 8062162 6274147 7185376 6244873 5329789 6443074 10176079 7609699 6718528 9484454 7189492 7630075 8964518 16482839 14654583 8685161 11295821 13347150 7990845 9521510 8749319 6742631 6810833 8556415 6643860 7084647 9378815 10505288 7463319 13212108 11443515 11383542 9264091 9610663 13509990 11276319 8022212 8470966 7713227 9070793 14038635 12993392 6555246 6039227 7850597 6604143 8838756 20041996 13192534 9770335 14938156 12366003 10404642 11191086 FUMARATE 67931802 43806638 38785777 43329352 31806817 33297673 25428393 35743230 39131669 41182438 25912297 29311764 16405949 17527611 21075618 22484649 15656575 16408489 44576278 44902593 68876261 60665896 63843631 75693868 32523621 33493651 43527302 40417980 41871870 49592420 27741600 16818975 18620697 30183187 18576232 21089481 66876097 50273068 44997446 46866847 42673922 49281098 44623161 37206578 33358880 39381851 32457756 35270802 20204897 33670714 30324641 19056094 18892534 23070739 71381982 69521957 60730266 56867181 45439443 54718846 37958644 33810582 44432164 51029290 37890894 56516371 24002321 23090451 21766389 25660417 29040485 29599900 64139169 68413840 56598065 65005213 82000542 75330673 40112452 35158753 41185234 37711134 39553280 77967832 26234150 21820549 27563685 25354383 19747478 21846316 FUMARATE +1 4645568 3215623 2653675 3259072 2747381 2522388 9128343 13584870 14757014 16174281 10276523 11289264 8251274 8906684 10562914 11745700 8585791 8827993 3740372 4236552 5673798 5463525 5759456 6213200 13265824 14834307 18127647 15903140 17190822 20476929 15071866 8615329 10074106 16396784 10249275 11742230 4938230 3806938 3290439 3768423 3484955 3859898 14983408 13174661 11585129 14324463 11922096 12739300 9040139 14926721 13983834 8865514 8719465 10261198 5062653 5057862 4978424 4335522 3423850 4020529 14727887 13265693 16833872 19498331 15010780 21017366 11165810 10457868 10017447 11449309 13181813 13110221 5054236 6158065 4805316 5663417 7420712 6337236 14420830 13354522 15094790 14322520 15247841 28917721 12453387 9772182 12658824 11890661 9225443 10587370 FUMARATE +2 7485171 5210103 4126091 5179203 4481078 3725503 11182463 17038548 19170091 20476989 13259863 14505059 14800536 16889362 19243551 21422604 15672474 16484326 5930640 6887766 8727643 7788913 8540669 8647883 17670902 19608107 23970655 22152538 23621569 26241742 29946815 17126097 20911072 33788009 21264730 22725668 8127836 6296784 4710743 6474443 6050406 6397082 21994521 19262688 17218693 20832698 18708489 19189437 19025963 33777770 29640832 20293126 20723851 24094839 8893117 9547700 8858473 7474740 5971417 6179610 21563428 20086018 22893891 28224553 22603236 30817803 25045992 25211401 22964866 27088036 30566109 31134840 8867150 10735864 7510962 9858280 12395337 10517195 20866770 18882556 21101546 20839297 22866477 42013315 28656119 23325935 29699931 28058950 21307309 23946178 FUMARATE +3 2144288 1471273 1123018 1525223 1274912 1046345 6313618 9730311 11187249 12296901 7917011 8254747 13164430 15114498 17009418 19722873 14485060 15617041 1440395 1852036 1961125 1885361 2165321 2304114 11077261 12127550 14885286 12660832 14221339 15345671 29550840 16935001 20542654 32870234 22051714 20790715 2458780 1883677 1395717 1974354 1948642 1946347 13044639 12365465 10811030 13849559 12467726 12496579 19174121 34511561 28679025 20811202 22241859 25585552 2953369 3146504 3094991 2478723 1942223 1874603 13800232 13443591 14341839 18037256 14750730 18824406 26340999 26887445 23791924 28484829 31969633 31831003 2412399 2871369 1950981 2509955 3196623 2740401 13238384 12861618 13340482 13214537 15132200 25639171 30679447 25456939 31461621 29842890 21705495 24971677 FUMARATE +4 120397 105401 72163 77580 136098 68797 1552356 2316170 2754187 3199186 2138183 2139466 6181863 7355580 7669280 9211418 7256662 7818875 100919 196113 147160 192458 161391 54292 3072649 3584907 3943077 3622246 3911726 4380756 16600107 9324744 11748028 18676979 12704146 10766321 141060 159421 99444 138227 143143 89142 3849690 3576914 2899332 4083933 3660717 3545445 9875347 18757517 14898151 12050746 14791722 15422494 282483 255914 259522 259211 144817 106431 3966470 4224271 4004333 4834882 4285719 5608059 15827679 16657451 14336485 17449227 19162036 19612856 111856 179439 140063 143274 307423 199760 3473240 3857036 3806294 3704218 4401155 7005641 18756503 16202841 19812206 18648195 13051779 15994232 GALACTARATE 14813074 11454757 8290786 6436026 8408577 8112437 7667894 20530099 24458498 37452164 12508330 14836897 4843559 8995225 14166400 11090504 8828919 11022679 7628802 8670515 14140561 10808015 10260723 19458566 15150614 16068511 24530623 30065070 23678112 27062681 27931234 7238889 11082110 39504099 11621269 14857661 7868430 8188243 7595357 9218087 6748220 7196302 28949748 17250209 15250185 24409727 15846794 16379183 10165757 20112391 11477858 10375058 10992375 7143513 22101834 16105983 13332473 8278823 12418144 10095299 13441231 19655490 20869779 18303469 16525550 38927594 13080172 13485997 12403512 9450598 22749308 12467893 9394299 9813526 8844101 9970564 19026323 14199456 13765798 17180493 19674975 15160370 17274293 96926247 11453452 6701215 15655334 9773765 11097485 13173116 GALACTITOL 35309827 19981231 18545497 15357049 13932729 12009904 3525508 3666906 3138984 1889044266 858542029 1941951366 1721798487 15221121 17128546 30439288 27697801 23075426 43548778 3219602 3115460 4139372 3030469 3843008 2463992202 1494545152 4232601 1473699335 27401819 20745101 20887214 19680916 15982860 19597184 2967027 43032603 37139756 33181760 25000416 20325929 24596961 3099220 2483695 3912213 3098625 3484154 2060410958 7158951 2694337584 24572828 26199979 22458082 26199121 40871165 34719570 3169479 86031052 49904826 74461408 191689936 2663847 GALACTOSE 1177104638 746148522 1004018183 606492956 388509991 599126876 514603518 623727116 910519938 577478976 332839298 510733681 449605930 408355978 624663272 508449713 321979968 417392238 631766091 454740706 929623109 1118868170 880887624 1315901746 581835425 415865163 761071123 853414824 696518278 947122703 667211244 345976337 493164852 669718675 444156781 570056988 1246386321 834212824 1035483507 720244570 395332030 690120829 875797735 685151035 836309672 655107223 398756493 573130451 621254104 685632887 907021309 512264072 428109746 614646189 1189844006 868789085 581076388 848253441 662239860 1009162501 586447898 368154565 637954689 874266372 579390973 855044114 540385683 436950673 461393817 523849009 544180000 714539303 1134977603 889551449 1086492704 1091509861 976241581 1348154322 801373174 602172435 843832781 742565986 614109182 1012902843 788354275 572054022 815468278 681069209 444044580 564273503 GALACTOSE 1-PHOSPHATE 70099036 41970929 32153863 33431379 28057527 28899406 19505342 21857494 23127886 27963340 13175647 15023171 3868989 9987943 12696963 15062634 5392746 10385976 33680076 34030437 58362338 48519718 43764076 69667979 15013840 17335450 18838359 21709079 22314342 27341631 18406764 8939663 10685900 21210122 6292840 11632152 42532952 33677206 35370509 33992823 31589897 30629604 22853692 18905815 15712793 21283402 14451986 17673544 10652272 19146012 17153068 6040618 11542288 10675535 52035410 65037986 61547417 46630199 41999747 46899450 17379192 18061318 22994878 27413597 18345697 33940828 12680799 7183757 5943400 6918605 15868295 7327215 35735140 42171700 42070777 43390102 62810199 49556721 15199083 12873310 16672000 16498114 14544695 40104877 13012742 5519311 14087621 7408799 9329441 8981944 GALACTURONATE 4521294 2213373 2748865 2188199 2065417 1780139 3035206 715751 1375320 1177116 2918606 4221284 4350889 3608730 5432185 1608952 2373319 2663920 2398764 3409559 1733921 4188196 3270890 3685098 2728276 2555244 2979630 3253699 2184384 4998606 4438415 3194490 3703426 2718521 3697307 3198331 2986821 3811222 3881655 3274950 3311894 4993700 5289335 2336822 2929822 3551657 1691120 GDP 12082 10873 11925 10025 8438 8279 13838 7957 18778 7585 15044 21377 9493 10697 17762 15124 18649 8948 23926 9115 12930 6805 15948 12457 10382 10783 12546 9560 20640 13503 8843 7319 16057 19702 7071 12639 11288 10351 6266 22568 13940 10544 21943 21326 12471 10422 GDP +5 10232 12529 18936 47713 13580 11729 30882 34951 7380 11345 12925 13275 39953 37727 34228 13849 8389 34768 17739 43012 20194 11924 57300 9422 6755 24298 49521 20237 14435 26118 89614 11655 30755 14736 22830 11883 80606 35356 GERANYL-PP 5165 9272 GLUCONATE 66911817 41515222 34164637 34170806 29144563 27816016 18242966 27841684 38208707 37154107 18681705 25556178 14974740 21845512 20457829 23519903 13446256 15381594 41236574 40054146 71491025 62864127 56356736 83904666 29438321 31571602 39088774 50591278 41624615 44544316 40266445 18243399 22240756 40598198 22159574 25844360 72056076 58535069 50700224 56043327 51550474 55015732 59243306 40907517 32531608 48524069 31688744 33527511 25003380 61526511 47632579 29575685 26835650 33467077 108202441 102380277 84054019 67695454 60783974 77579400 39955449 34443977 52086695 62815741 40471262 74117238 39514979 34200441 34479313 36870825 47259890 47355809 61417803 62829532 61191900 70550345 88520311 87049865 38557479 35327340 49640803 36769990 37599763 104221478 39880594 29288983 42928046 36465361 27960685 31409929 GLUCOSAMINE 6-SULFATE 4690 GLUCOSE 4442521 8434735 8684135 4748440 5430373 5402101 4738580 5700290 7514701 7596537 5207058 6869936 15205345 13817810 16879437 17988561 5622627 4877891 9112469 8009636 12395216 7507180 5021143 9154791 6110912 6534788 9049619 8917397 8800032 6679251 18792834 5142447 13927046 8564208 5862400 16709917 7375794 6191419 9550020 8745904 7861884 7913947 9586511 7157491 8878165 9620693 8574368 8060024 8509522 7619186 6011784 17873804 7747882 7419703 9346178 11805358 8065484 6588365 8713284 8777012 5931572 9277814 11449866 6843605 9327130 10306978 8286662 8020998 16668496 9234487 19856125 6272295 8987007 8133418 7946959 7138313 11152915 7081837 5983153 9512163 18833092 15023202 12030855 49505579 5868544 7238917 7449927 6300475 5920123 9665758 GLUCOSE +1 89813 213831 206145 233396 304409 174325 118561 131675 144826 240111 128603 192497 257193 124748 108007 397315 135831 142365 229966 466633 229422 226721 122372 174034 115920 146433 141968 293531 76254 73337 152334 115048 180563 256439 195144 144925 384359 169687 262367 417309 419938 244512 76934 191105 179342 88023 166028 166149 228923 30918 114365 1033337 99834 83789 216851 472512 193315 156539 211815 261858 228502 511422 366897 178916 246526 144544 95951 115248 114772 125914 78293 79885 330545 356729 128142 324060 285144 87524 148118 142604 173120 203613 149787 23647 78231 174608 89331 166080 202601 135817 GLUCOSE +2 54788 30276 20739 45391 34120 36567 58571 71261 34413 174828 33245 43780 49794 24925 33511 22366 17521 60206 91677 19383 26429 6347 6922 25840 24477 21267 25610 28424 15995 19646 35034 31633 31749 77764 40870 34396 39501 32177 47550 110480 27389 69060 11867 16456 28646 38077 6979 57775 24108 34316 27677 35668 30926 31646 25422 18003 26157 34921 27381 32048 14410 16033 13483 43654 26737 21060 52359 6664 36028 35718 30161 25525 26115 48620 57615 27696 37554 22296 GLUCOSE +3 12448 15271 GLUCOSE +4 82918 150801 189157 49525 102754 63382 67265 89612 105457 112390 180195 193520 101082 121883 81020 55916 223555 165690 117059 158265 105241 103512 54455 127006 245732 92565 569970 191212 250416 150734 95782 126162 97458 93324 104157 106132 92233 108160 612471 125380 141750 224829 153555 101353 98956 97764 75088 135647 98420 103434 950291 81335 163809 316740 118800 208808 159120 121544 240314 148363 168557 261236 215832 103399 58913 153228 100956 157513 77093 107603 106018 200114 286842 207261 166353 160854 224460 662653 166652 70154 68025 103942 114829 257824 GLUCOSE +5 10980295 10450868 13433639 9732985 10703758 11705129 9555648 10428958 13928751 14803122 11797438 13079572 10044946 12271957 11147815 10474897 10601625 11432101 12414199 12767127 16474962 14400763 11178476 14152640 13870817 16876754 14029908 27641482 14915332 19941099 15213884 10633228 12022301 18364902 12241890 13408174 11340245 12129334 11597205 11783618 12304752 11080688 22152637 13642666 13673657 14955761 12415702 13956185 12641266 14984322 12840652 13343499 13164682 13503529 37312109 15459517 15559125 13106661 11889747 16193307 13274994 13983182 16584088 14175621 14657708 21223029 13530881 14243889 13570442 12458066 14611943 13812177 14045231 14982031 13098729 13180191 16465695 15476612 13490851 15046034 20965702 13847982 15303869 24503210 13242329 11741958 14695104 13479468 14289253 17350513 GLUCOSE +6 173739455 165841834 220473437 153654070 169210785 182469938 152200493 163434537 215820823 238151936 189949495 207588412 159587664 193377735 169838120 165439137 165876109 178325693 197308851 206306653 263192720 221458662 172509949 224790599 216445063 259756560 219042928 436911641 225405142 305301937 234773237 164190365 186496911 297042507 192085718 210458938 184448179 189422125 182126231 188662982 196274756 176632962 348740001 218936609 214325453 233077656 194890138 224944689 197867599 237499018 202569280 210796706 208127732 211852596 565780400 241447201 248365211 207420763 183674597 254899022 208587648 215032683 262489317 225382766 230475915 331042903 215389991 222451693 210987142 191196548 230537845 209359638 222476786 230195463 210418003 207589090 258144226 244520012 217528774 230907891 331919673 215443148 248681780 387462474 206469735 184620853 234986429 211510582 224507474 271776565 GLUCOSE 1-PHOSPHATE 29796724 27822232 14381600 25554571 19697268 22873045 5898779 11173470 8231413 13547357 7841681 5934041 3201885 4629282 5525803 8337813 3897590 4309097 15003214 15280723 25997483 20553502 37532469 29124316 4629140 5540620 7377931 6198104 7265895 8840971 7220316 3459684 3998950 6679741 3931315 4585055 17350503 14058137 14822600 14091946 24715666 15146742 6304075 6026927 4538598 6702097 4927786 5528873 3429966 6738327 5583970 3452464 5270728 3812916 26991243 32219341 42627529 33180952 21218815 22545782 11346310 11175214 13518269 15965868 11845917 19543566 5058639 5035238 4524577 4617088 6749671 6072620 15143966 18076475 19273551 18697697 27902902 22854581 4619796 3700495 5483867 4726850 4815312 12768658 3763404 3527675 4702405 3762582 3815686 3246682 GLUCOSE 6-PHOSPHATE 4935987 3104536 2255459 2373228 674666 5052017 4897364 5403725 6909548 3256954 3532091 2390876 3201829 3944972 7471147 3090662 2997678 2398393 783954 1313880 3669741 4235212 3481468 3950997 6301121 4541916 4907899 5939243 5249651 2964839 3213785 6165976 3627012 3678569 3775305 2554662 1317109 2755118 2503833 2799848 5197880 4366764 3459351 4969848 3676038 3680305 3778953 6024337 5891022 3498433 3805554 4072127 4571760 1119068 5042277 3628529 3231918 368376 3761511 3728388 5022913 5310638 3360572 7112288 4308071 4475294 3608716 4092057 5132675 4332642 3867360 3835874 5586013 4354214 3094653 2820886 5613804 2914643 3295199 9991668 5028248 3913207 5194122 4486878 4707276 3661206 GLUCOSE 6-PHOSPHATE +1 366267 231668 62021 41693 175924 42791 271191 500372 374292 483122 200115 246651 190803 211799 284391 485231 169242 205058 249701 77290 283845 391453 55494 147355 256211 228700 256936 306091 361109 452410 386302 180265 190650 467868 224898 247358 35723 69125 113522 221690 3733 35389 401912 282298 230735 330200 206058 220735 233137 436998 382389 202238 278916 254572 405083 84600 351301 248352 205560 20179 229015 215946 303763 343631 320855 528240 236419 234425 190051 215320 297233 455087 28990 294711 30319 290864 63801 79449 338568 199797 295087 217760 247246 650298 318060 318313 373051 303949 203217 213493 GLUCOSE 6-PHOSPHATE +2 34592 7167 8267 6588 24560 9734 42336 8604 19669 16640 16094 35864 45944 12989 38894 9232 18819 21473 32978 30839 20367 6559 28166 14560 26106 24271 14771 65227 38389 48680 6596 14792 25076 6048 5442 12150 22589 24480 6030 48173 10742 24313 7194 41562 42551 5386 39330 31718 5789 14561 7519 11015 27888 12791 7156 21148 20275 23741 17969 19772 13988 22661 14115 7237 6603 19465 23324 45048 4876 10318 11900 90770 25782 35653 6371 13908 4705 GLUCOSE 6-PHOSPHATE +3 8968 26982 13027 5608 16483 80648 108276 98371 177396 49857 133265 6369 46963 115694 144099 53925 105177 17898 33113 34071 128928 20142 145667 95096 103817 91850 35770 80854 124017 187837 57646 75920 216563 137810 141311 49690 13489 36332 17571 30839 33648 46426 98091 50227 97983 42517 35689 60553 119169 114453 63207 90073 154983 32706 34714 27758 18462 43003 82141 83725 29746 156184 132783 56130 118916 122400 118626 100964 105752 138700 116663 16094 31686 21595 84975 134149 9032 32280 56247 26993 53434 227840 60040 12814 76332 39971 35899 56450 GLUCOSE 6-PHOSPHATE +4 5800 6903 43882 9535 GLUCOSE 6-PHOSPHATE +5 5000 4186 8356 5414 7071 5708 9784 6708 7741 5370 8237 6987 12894 4172 5084 GLUCOSE 6-PHOSPHATE +6 409763 7519 9154 15739 11310 14745 37536 438340 15492 44164 20517 28094 35189 106423 57618 44174 39288 16832 286508 15271 88924 497807 11940 77752 84494 26303 206325 197818 366635 14188 16739 138722 50591 58122 32270 57423 12228 16508 13292 47859 196749 222656 40225 185496 32337 18135 43537 103039 66832 24062 51857 306469 477041 23351 47854 220146 11843 48094 243102 54796 51521 30222 303899 81821 149844 43552 54103 41068 45943 42766 4502 9896 521319 166740 32232 22735 22131 18312 41986 1186442 97528 106669 114735 48358 26693 83376 GLUCURONATE 4521294 2213373 2748865 2188199 2065417 1780139 3035206 715751 1375320 1177116 2918606 4221284 4350889 3608730 5432185 1608952 2373319 2663920 2398764 3409559 1733921 4188196 3270890 3685098 2728276 2555244 2979630 3253699 2184384 4998606 4438415 3194490 3703426 2718521 3697307 3198331 2986821 3811222 3881655 3274950 3311894 4993700 5289335 2336822 2929822 3551657 1691120 GLUTARATE 773678 1379277 1250388 794943 1065331 1503584 863030 1128716 632755 1115541 1671837 823376 842644 832361 885197 GLYCERALDEHYDE 3-PHOSPHATE +1 10665 9760 GLYCERALDEHYDE 3-PHOSPHATE +2 2442304 2051013 2835316 2641746 2314979 2573200 2780938 1481365 2342812 1278453 2662771 2610747 2350386 2510463 2609542 1641286 3105149 1701361 2465421 2394891 1299120 1623814 1746407 1401010 3043431 2988820 2379579 2476079 2668512 1445418 1951645 3354772 2522732 1606246 2768087 2894593 2634161 2743286 1550973 2406380 2446240 2406012 1491840 1458257 2145406 2333350 2434379 2786426 2861987 2647431 1647508 2874169 2968090 3076945 2313149 1172276 2858677 2812002 1425320 2606177 2590697 3133661 2670791 2533595 2999159 1692934 2533827 2932316 3006223 3032751 2817244 3145926 2843190 2717647 2902310 2547537 2382822 1915463 2632459 2593995 2732204 2609056 2773425 1328600 3045977 1859527 2526648 3087374 2867645 3172444 GLYCERALDEHYDE 3-PHOSPHATE +3 1490451 1235769 751170 782666 966957 730007 740380 993687 1200803 746290 808011 832802 1088832 1198736 1018918 1585389 1080213 997417 865122 973634 46332 656149 982324 249911 878710 930026 1128545 920772 1070745 1039017 1811220 960499 949259 1238375 927771 881413 1469184 1047738 706216 1118801 1064430 908878 1078106 1422079 1135030 1205784 1258404 1139511 1551434 2984937 2093162 1564449 2029729 1730622 1423835 67585 1891543 1382424 781040 1020825 1395082 1330333 1383449 1662792 1257117 1423018 1803485 2036791 1495219 1937312 1912284 1741361 1229597 1429954 1012749 37324 1253662 1120119 1561285 1219747 1242703 1101398 1207628 454007 2447139 2262819 2687158 2282002 1575835 1766519 GLYCERATE 1672353 2427994 2421959 3956038 3631238 5496764 7360481 5747781 7764936 4271950 5394088 4872089 1330319 3254995 5609823 4351072 12907002 3305324 5861371 12784617 4568553 6125213 6933127 7344773 2652765 8330903 2978896 3124666 4815842 3035883 4388388 7125813 7671275 7363192 6515922 6712273 6030602 2118792 3535145 2739089 3743516 4737594 5458267 3509185 2805040 8490020 9169839 9243135 7956018 10324152 8528257 1780392 4413130 2736754 1580153 3321907 3292557 6290495 3764194 4980106 6771505 5235042 8223977 7049688 7921771 10343674 GLYCEROL 3-PHOSPHATE 17896998 9391938 9026647 8363403 7545962 8502526 3445729 7894959 9777117 15248307 6797004 8799902 1433056 2191694 3284920 4998541 2851924 3421333 9403198 8975486 18435282 18487885 16390083 29314719 9261613 11451313 15500868 14614443 18750519 22048679 9641809 3624407 4763729 11183943 5517661 6146779 8757717 5578019 7698410 6931279 6018421 7803184 7548526 6082234 5051845 9773109 7331325 9446175 2245883 5691448 5097308 2977532 4081237 4761348 21308312 20396667 19082702 15753780 15558832 19152298 10196952 11065519 14485704 18422142 13858614 24318157 5634228 6190351 4922446 5692833 9326921 7872310 6994917 8116130 8589056 11922655 18599260 19399522 4357686 4763571 7115460 6809437 8291553 26029165 3720295 2508001 5145814 4335984 3898416 3985730 GLYCEROL 3-PHOSPHATE +1 3776961 3228572 4230672 3235957 2064067 1083954 849600 1816075 2752836 2779665 1379143 1247031 452634 385461 757506 2345055 653789 618050 1268460 781060 1150645 3628875 4451458 5225484 1941243 1647706 1467790 1442281 1865148 3331548 1978334 809234 324981 1603254 541918 1199065 5279332 1652057 2876149 966019 1415130 2080188 1758494 2705717 1914591 2653165 1134299 1701332 616219 1314293 2479274 1490536 1286277 1126782 3383700 2858042 1566306 4803488 4799237 3598476 2738361 959446 2306445 2303622 2914598 3147737 816978 1016730 245131 88023 1340012 1983619 2927571 2556377 3411787 2509688 1921257 3767152 2789754 1650156 1770432 1965128 1208232 2809300 1313925 854950 1449200 1115589 618581 268680 GLYCEROL 3-PHOSPHATE +2 2361944 1376802 861572 976544 1070453 820053 1064192 1367381 1491330 1857184 1243269 1019789 910507 937969 1128382 1487948 939573 1064842 792172 825422 1199776 1101208 1138626 1520906 1245952 1370666 1646015 1455345 1650178 2018659 1864028 1102947 1214602 1995449 1118526 1310136 1349249 1066495 1012888 992925 906313 893719 1656755 1624536 1185477 1806371 1261037 1315586 1133466 1859213 1820829 1102467 1139692 1254249 1422713 1588214 1617186 1175341 1040825 1051433 1436042 1381624 1567368 1735507 1519850 2178970 1321047 1362354 1159794 1232536 1661647 1550517 1217283 1486394 1220670 1304165 1893725 1735126 1354975 1277456 1451018 1239872 1372730 2613935 1577997 1262538 1561083 1431213 1139828 1151741 GLYCEROL 3-PHOSPHATE +3 65852907 38779584 24321324 27915050 25138701 22058108 17979521 27634720 26216002 33149974 16875578 16455345 10985926 14489504 18862744 22767762 14367084 15864422 20950359 22975358 34727264 29977989 30980185 44706526 18914950 22131405 28573865 26171021 32199207 37687881 36776764 17026157 19351978 41458309 21167849 24024796 36614448 28245483 27230200 27198229 22130193 24695852 31015939 28434872 20356820 32645225 22401401 24926933 18858829 41059893 33537758 19912727 23485527 25508812 42177230 48467535 47018727 32899380 28445962 32531691 22754475 24199662 29097070 32891999 27501875 43697373 26587551 27229286 21630062 25360075 38454901 31421937 33975667 40818616 31887820 36448507 56874727 46024151 23750250 22037665 25477316 21524433 25181253 52602817 33324659 24966362 34984627 28487640 22737626 20680836 GMP 9677 5925 56783 10727 7144 GMP +5 22335 40028 5024 31158 29174 3887 37047 28855 40466 11982 5342 5473 42331 24765 4023 18038 GTP 14351 10843 9240 GTP +5 6398 15937 GUANOSINE DIPHOSPHATE 17578318 12810817 8499699 7591078 6148198 3536065 4415386 13514369 12885787 14359226 5779587 7782130 1600721 3558715 8184759 5019836 5364038 3381868 8295752 6366772 10264396 17014600 15055281 18131294 9302819 7182411 10865744 8101323 15348773 15720271 9482905 4512802 3741324 9330312 6345029 8355113 14193422 11757670 10052560 8236463 8691337 8686582 13310621 11520949 8853612 11328605 5430692 4144923 5786311 12276562 9711442 7309887 6477841 5388706 12114917 15709952 18902986 13513369 10122205 9013258 7526195 8121736 7157038 13704223 10751413 12655537 7474998 8168681 4621814 4842597 11066738 7288528 12669681 11002784 10517158 7484688 18778570 17193041 7143056 8122454 7478204 5463642 6892433 24631154 11110850 5792285 9580053 5520725 4975754 3191146 GUANOSINE DIPHOSPHATE MANNOSE 1055076 660673 327843 117497 256993 310215 7600 9260 65977 13120 5364 9700 263927 161283 875773 556432 688582 964487 16889 8583 48449 65144 24294 30049 20845 17526 16779 747216 484342 636179 460101 333147 602099 57972 66360 8057 37551 5969 9144 7635 16081 10435 6344 657596 1177839 818382 885352 770415 644690 22692 14668 42182 13240 89798 7336 6561 10193 461475 471507 734037 695899 504371 937754 9472 7694 17749 14720 18667 166220 7540 5906 GULOSE 2956475 14032158 13146624 16635938 17826801 6892622 5708668 4325154 5112605 17174311 13401225 7017718 15445686 5234292 4391217 4664601 7447859 17414118 2461181 6367122 7939822 4387083 5441662 4491377 7199433 2361478 14814151 2392061 18829755 6082735 13914150 10228945 13840394 41115279 6385162 7316133 2871988 HIPPURATE 92590 112192 101138 90408 35320 34176 12641 114479 173006 171791 HOMOGENTISATE 71304 178704 874812 177739 48550 213182 373988 175875 20603 379432 16256 519872 60156 HOMOVANILLATE 91754205 76597614 76062253 65511898 61283879 55123970 42021522 65056743 67749763 51964482 49191982 51782736 67883435 65313727 89600006 64672445 71202655 62890467 64876971 95271162 94737069 79773030 61747772 61337133 81336441 69985140 78112931 85847496 106097450 68406757 78059756 72595 74105653 91851882 93029028 74486245 83082490 71101543 51890894 73318506 54195963 57599484 61131874 52914285 60524432 73876758 98851000 75547008 76008707 89416827 76024066 79413690 85238246 76535517 81399527 56703355 46103121 59488255 70293553 56044057 95133562 87095967 76702223 79775949 93723400 107628318 86292977 82800766 74589350 80077031 81849 89882124 59665694 54576987 62126245 60531197 58612313 82089 105471243 88042266 115074550 98388936 76780556 85231603 HYDROPHENYLLACTIC ACID 91754205 76597614 76062253 65511898 61283879 55123970 42021522 65056743 67749763 51964482 49191982 51782736 67883435 65313727 89600006 77175748 64672445 71202655 62890467 64876971 95271162 94737069 79773030 73188948 61747772 61337133 81336441 69985140 78112931 85847496 106097450 68406757 78059756 81619200 74105653 91851882 93029028 74486245 83082490 71101543 51890894 73318506 54195963 57599484 61131874 59332589 52914285 60524432 73876758 83919249 98851000 75547008 76008707 89416827 76024066 83092469 79413690 85238246 76535517 81399527 56703355 46103121 59488255 70293553 56044057 52518377 95133562 87095967 76702223 79775949 93723400 107628318 86292977 82800766 74589350 80077031 94097699 89882124 59665694 54576987 62126245 60531197 58612313 144151 105471243 88042266 115074550 98388936 76780556 85231603 HYDROXYPHENYLLACTATE 91754205 76597614 76062253 65511898 61283879 55123970 42021522 65056743 67749763 51964482 49191982 51782736 67883435 65313727 89600006 77175748 64672445 71202655 62890467 64876971 95271162 94737069 79773030 73188948 61747772 61337133 81336441 69985140 78112931 85847496 106097450 68406757 78059756 81619200 74105653 91851882 93029028 74486245 83082490 71101543 51890894 73318506 54195963 57599484 61131874 59332589 52914285 60524432 73876758 83919249 98851000 75547008 76008707 89416827 76024066 83092469 79413690 85238246 76535517 81399527 56703355 46103121 59488255 70293553 56044057 52518377 95133562 87095967 76702223 79775949 93723400 107628318 86292977 82800766 74589350 80077031 94097699 89882124 59665694 54576987 62126245 60531197 58612313 144151 105471243 88042266 115074550 98388936 76780556 85231603 HYDROXYPYRUVATE 30007498 IMP 699652 444029 115309 138107 164377 176477 999882 896886 721316 849356 536212 357726 193817 279459 283535 1176258 56484 135992 325325 135925 304299 220325 573303 79401 263627 657991 325473 614367 238356 726554 461161 76194 143089 213158 115338 169427 344603 329020 141783 185735 383412 132941 886821 782767 479926 472457 194971 425304 243127 433592 432989 207443 448788 189971 561016 216923 512916 216380 290471 481416 367935 187870 538652 688838 379800 794751 356777 184034 226993 167344 347247 628411 106357 309395 636751 98073 216966 362345 312526 170321 399885 459630 171377 468333 258755 168474 543914 176934 339468 75963 IMP +1 22738 17349 25959 IMP +2 9542 6101 IMP +4 5164 14029 IMP +5 18106 IMP +7 6805 9953 15706 IMP +8 7768 5906 9904 6823 IMP +9 7064 7407 7164 7216 INDOLE-3-PYRUVATE 4576 6784 10569 5205 2708 2888 18830 35205 61367 6836 20271 41857 267960 202817 196567 64067 201670 229058 3113 3519 8290 5582 12171 59230 76673 158087 177121 91852 160580 370229 134643 257454 50313 87939 184397 11050 3748 10996 14172 6405 3602 36958 116671 138537 126417 59625 60924 281457 36844 182964 197488 257577 321038 40571 10190 7709 3398 7344 10579 100879 84881 116363 90701 127560 146024 299711 335040 209850 240243 206160 273634 10477 18206 11496 6711 4312 6757 81118 114142 199890 116413 141452 8289 402501 232114 597252 249266 218631 277030 INDOLEACETALDEHYDE 20905 13090 10546 8771 12139 12241 39885 13385 11414 11432 18352 22519 9908 13015 6945 10064 11436 10551 18581 10526 6295 21404 28041 9056 17664 13164 31441 10700 20067 14951 17835 19152 33918 16354 23886 14313 33223 31564 10952 25270 7455 16396 11493 18542 38867 11220 7545 12476 9483 17918 24359 12582 INDOXYL SULFATE 2379 3707 7456 INDOXYL Β-GLUCOSIDE 2796 4393 2699 3237 4608 3943 5564 2896 3020 2715 5571 4907 3058 5505 4928 4317 6940 6556 3760 3142 3662 2587 2713 3572 3480 3283 3176 2872 3267 4024 3000 3118 3611 3444 5784 3515 3241 2613 3638 3371 3530 3750 5995 ISOPENTENYL PYROPHOSPHATE 19595 8806 4847 3876 6410 7938 10191 6887 19979 8301 12239 10971 8846 6308 5621 7245 9193 6581 7822 6811 13539 11537 12022 19703 11028 ITACONATE 25440920 29505449 27656884 59858298 4915083 6069172 7222919 7455818 5275603 5714310 30262770 26415424 37754778 36075584 49411733 8888315 5222044 5771214 8713658 5420122 7960061 24414050 28146266 39502765 33260484 5843099 10013395 8565525 5859898 6066666 7413464 41090186 34882515 20479794 36545756 32623464 8335121 6905652 7065151 8153999 9140837 8395587 32843345 20800560 30384988 7272677 5370291 7150350 5948779 5421033 6113874 L-GULONOLACTONE 1276475 1990055 1368533 1656167 1188864 917261 LACTATE 406316434 297427919 423331878 206436019 286623250 323274207 183275964 281765188 417213242 624656074 278032301 313469216 221445746 293237522 276613885 406600364 243925031 271130851 346903053 371363950 680484992 438502289 325534241 595797193 338254478 450218638 420648514 1093770096 414564140 651423373 562323937 206887949 274432575 726977197 246643524 317242589 316085449 339729778 318357335 376730327 348341853 321540641 897393740 401262833 357107285 549301094 320053502 407990728 284624626 557444287 409408153 378257528 327032058 310880154 1959428236 705640670 632137877 398692718 363386838 562737843 355599566 373101415 532701282 414567242 413844717 937937181 362587081 384950670 342701808 299364672 467777344 362954978 384211823 471827773 418124237 364521432 733088617 535467733 366032638 383534308 698484398 348047703 427927665 1324553261 306925165 263218309 391393791 305602765 331465142 397522426 LACTATE +1 13332225 9479345 14196686 6890083 9464802 10182332 6672182 10946713 16329718 21879866 10464882 12237356 11017755 14320752 14204429 20116212 11745737 14045412 11895931 12776490 23111455 15436914 10829889 18849819 13730488 18006334 17034709 42426697 16485555 25896087 31506483 11161328 16583732 40098511 15667425 18390809 10472010 10939338 10376147 13450103 12070360 10639233 34677957 16494646 14865476 21784035 13533603 16285214 17533940 33042074 24470196 21930131 21892850 21401501 65751896 22901584 20765557 13775826 12637286 18957408 13940806 15507392 20820590 17514765 17770932 34985158 25213282 26841130 23638205 22129261 32279353 25671107 13594519 16383793 14605656 12849231 24509303 18267259 15510965 16187548 29287975 14450066 17924557 50199181 21924828 17970675 28438696 22275783 21283851 29373748 LACTATE +2 5198257 2386424 2097172 1869596 1896522 1608098 4651324 6860962 9403497 11403081 6197666 6856536 13803910 18780753 17997010 24850264 15326811 19383842 2118770 2896348 4137915 2835832 3076640 4321998 8837521 12399530 12364700 25308858 11381849 15963498 49916759 17807791 25508622 58604547 26071657 26306682 4458877 3259529 2573224 3442473 2812572 3027622 22023496 12742096 11334738 15661618 10676707 12384749 30082047 49424489 39003059 33837481 40433796 37974135 7701478 6211934 4908909 3901925 4084544 3808319 11558159 12357173 14401820 13515138 13223393 23644440 45164637 48182337 41476194 39798309 56868839 47351081 3810908 4501409 3408019 4306145 5641586 4186045 12209396 13042991 18872741 11767420 14268392 32931592 41850549 35306319 54474403 40156985 41637105 50913870 LACTATE +3 136314836 63334288 53249137 49091107 50144785 44141908 105019147 149007391 197789111 268043189 135277841 144637594 273613831 372176994 349954233 483652044 298148832 385629409 55250992 75050044 108449024 78201083 77864957 115530969 190314472 273000716 257127321 541609857 244190780 332065336 903079418 340261481 471432426 1162893451 492045830 476483757 110899211 78917524 65487377 87069426 73608452 76984606 482101590 265791565 222807492 332974185 230361308 261098821 551674556 992424531 734469667 660112306 776354228 711243580 177244904 165099293 123489370 94673463 98424196 91568112 237374319 254348798 292467552 282571458 273852489 534220422 836356245 924976507 776592112 713295759 1071976672 864706902 92808982 113622980 88094130 108269515 143407924 102710881 253398659 264713188 411389017 248007977 291919071 724553541 799623231 651477924 994558646 765593928 746978267 969778077 MALATE 855406797 554733847 492209596 549019713 417648230 436435250 336777335 462822742 516065161 554572252 346480647 396722593 224197293 239539667 275496748 299880185 213049760 223561594 570423819 583837810 860774154 762535764 795915363 997221046 428456540 452468105 583471640 540285753 539539910 635919923 365091942 227078268 255863354 401854021 255330735 284544881 829442065 635906524 588137145 611952248 545479836 629124003 584194631 486493564 445510865 525756595 428411716 474113824 276355738 434060067 418943955 258301777 254713852 308420919 903295866 883179879 751066829 712397932 571768748 697489843 506292642 455461255 587141081 658789903 497858416 728310505 327125065 314309633 302221198 348324448 381219190 389296504 796468325 849477240 723502100 833336298 1058988945 941686466 514239594 455498837 536355510 504372554 526192223 345485241 286275948 362316458 334227573 264453738 297801150 MALATE +1 60523517 42838957 35605121 43728275 35049727 33457888 102125106 149142954 162421248 191644396 117296781 127759231 102712944 113711433 130660963 144495422 105133286 108230382 49518782 55021230 74679019 67673048 72236012 78517407 145043277 160765330 199915618 179043103 190037122 224637592 186569818 109524049 131193553 212411047 131788027 145321310 64254600 49945849 43497449 51285328 47344705 52833578 173352911 146703855 132964401 167168963 137327350 147788962 117004938 187819870 171798651 112737387 110345482 132489495 69959283 68379479 64811499 57431138 46532292 53674508 165310939 154278525 189280153 210761464 165108743 244597497 138807309 135394298 126166726 143927769 164687121 162650326 67533591 78037304 60947551 75112835 94922208 81055519 156971125 145010512 168199399 162685993 173951173 339552427 152847417 123282126 157353807 147895622 118117001 133307277 MALATE +2 95236200 68151803 54754453 69851616 59269963 51934480 136529561 201505231 223892623 236646549 152790889 172177179 172166728 193458159 217263966 245254837 181341993 189264600 79575829 93582633 113181405 103488080 112393461 116895063 210669651 208372529 287487709 247302555 267740232 309220892 342173271 200144479 242060501 393830122 249961836 252147770 103844806 82126559 65063681 86688890 81268880 87024498 251403627 227781449 205331726 250950449 218023295 227252264 219932017 376182004 327730355 229656543 238109483 280319313 112875634 123374297 114485487 98587556 80377927 81057779 257904065 238924823 281957484 328654165 258712353 358682456 292985735 287155534 266745749 307408214 342250593 345403440 113129777 136996360 99267345 128457651 159205314 131723110 243307045 227125709 252658696 248317687 269547883 467503778 318994371 264848905 336157334 312515319 238476237 277650161 MALATE +3 30577824 21897487 16265372 21710419 19867751 16508980 85172859 126851570 139139750 154668188 100942407 108069876 162236222 185533764 202346200 233756944 175407875 186434363 22104800 27620605 31864078 28775249 31559066 30933149 134545455 152848086 189568503 161265272 173747940 191390969 339991011 203654421 247344893 392651156 258726154 245764894 36289167 26758417 21430756 28496214 27453503 27156899 168659178 154825279 136615968 172472517 155016576 156546885 223698376 387022685 329314697 246100274 263984142 304464718 42935023 46120313 41498948 35813098 28826950 27078597 174036696 171082257 182987681 214495910 177293459 238048451 314613976 322531464 285318750 334836011 375148919 372575998 33300022 41177831 29257557 38664793 47268568 39469899 162730380 157543516 168372314 168767715 188964672 318783171 347440115 294693462 362364220 343543134 260783932 302051457 MALATE +4 2137444 1749335 1237169 1880286 1926824 1296812 21637296 34188736 37940740 40984341 28888575 30021999 81385577 95799828 100477280 120969545 94767757 103321040 1997017 2565765 2485000 2466420 2767849 2181594 40214470 47921139 56843697 47850618 51538122 55263418 201768406 121175343 150476601 238889977 164228484 139801558 2598087 2017780 1472329 2460919 2396236 2272311 48038943 47786470 40193146 52557693 50110728 48756426 128274454 235943545 190003441 156658982 181675026 198034596 3500751 4084532 3812942 3250956 2578497 1976234 54985611 56452889 54271432 66521150 57087266 73875339 204744442 214544849 183997062 221233778 243896050 241346998 2596437 3489944 2308530 3219848 4118551 2973091 47973881 49558865 50596830 51800988 60076824 95771305 231285766 200988790 243586692 232270108 167509185 199990178 MALONATE 9719852 7424436 9337742 7596488 5402616 7760429 8208585 7838965 10332576 8892144 9302898 8482346 7380609 8532309 10300967 7376253 7688201 7344355 7169897 8185563 8939053 8735582 7989355 7612850 7358204 10471531 9222451 7493976 7659596 8837209 7115778 7842232 10326679 8432743 8804024 7928981 8369671 8344650 7967093 8798728 9095088 9860514 7696736 7793405 7319916 11809629 9064506 11337715 8387558 7543907 MALTOSE 203676330 19471330 19954470 155576384 31827238 MANNITOL 35309827 19981231 18545497 15357049 13932729 12009904 3525508 3666906 3138984 1889044266 858542029 1941951366 1721798487 15221121 17128546 30439288 27697801 23075426 43548778 3219602 3115460 4139372 3030469 3843008 2463992202 1494545152 4232601 1473699335 27401819 20745101 20887214 19680916 15982860 19597184 2967027 43032603 37139756 33181760 25000416 20325929 24596961 3099220 2483695 3912213 3098625 3484154 2060410958 7158951 2694337584 24572828 26199979 22458082 26199121 40871165 34719570 3169479 86031052 49904826 74461408 191689936 2663847 MANNOSE 1177104638 746148522 1004018183 606492956 388509991 599126876 514603518 623727116 910519938 577478976 332839298 510733681 449605930 408355978 624663272 508449713 321979968 417392238 631766091 454740706 929623109 1118868170 880887624 1315901746 581835425 415865163 761071123 853414824 696518278 947122703 667211244 345976337 493164852 669718675 444156781 570056988 1246386321 834212824 1035483507 720244570 395332030 690120829 875797735 685151035 836309672 655107223 398756493 573130451 621254104 685632887 907021309 512264072 428109746 614646189 1189844006 868789085 581076388 848253441 662239860 1009162501 586447898 368154565 637954689 874266372 579390973 855044114 540385683 436950673 461393817 523849009 544180000 714539303 1134977603 889551449 1086492704 1091509861 976241581 1348154322 801373174 602172435 843832781 742565986 614109182 1012902843 788354275 572054022 815468278 681069209 444044580 564273503 MANNOSE 6-PHOSPHATE 70099036 41970929 32153863 33431379 28057527 28899406 19505342 21857494 23127886 27963340 13175647 15023171 3868989 9987943 12696963 15062634 5392746 10385976 33680076 34030437 58362338 48519718 43764076 69667979 15013840 17335450 18838359 21709079 22314342 27341631 18406764 8939663 10685900 21210122 6292840 11632152 42532952 33677206 35370509 33992823 31589897 30629604 22853692 18905815 15712793 21283402 14451986 17673544 10652272 19146012 17153068 6040618 11542288 10675535 52035410 65037986 61547417 46630199 41999747 46899450 17379192 18061318 22994878 27413597 18345697 33940828 12680799 7183757 5943400 6918605 15868295 7327215 35735140 42171700 42070777 43390102 62810199 49556721 15199083 12873310 16672000 16498114 14544695 40104877 13012742 5519311 14087621 7408799 9329441 8981944 MELIBIOSE 203676330 19471330 19954470 155576384 31827238 MERCAPTOPYRUVATE 6034 8135 MESOXALATE 1256853 556500 499035 208694 253767 396334 320421 152740 223370 370546 471019 355767 593190 538929 653886 333091 112167 130645 347249 169111 269806 240451 313047 386096 251377 561651 506253 778687 858460 170715 246555 230395 178280 162202 155486 553370 569162 301719 347069 773386 833854 848811 582563 836452 1031534 199820 187623 227477 153817 359285 209246 523125 568241 763565 923022 632319 731719 2344642 178317 155585 159945 145707 221194 206249 METHYL GALACTOSIDE 162629 METHYLMALONATE 32767944 21626942 16809957 19588692 16333306 12372311 17743484 22504750 26141121 33009549 17885649 19648927 15501759 19252772 17497218 20200883 13813676 13370576 21288069 18675010 25362105 20600004 23919692 19009715 20672447 22253837 22410327 20478933 24970825 24445932 12967399 12834379 23516682 14230160 15712964 28555271 25610894 22362337 23518771 20919927 24276418 28770494 21938162 27987835 18573476 21728267 18327908 27193891 22922429 14318028 14109002 16942452 23117464 28716183 16195780 14712231 16183364 19135663 18124739 19134705 15605246 24806074 18245014 15426254 15319509 17066887 15010380 24794020 30352227 22041102 26735974 36974380 22292821 20332538 23826203 21619609 24618622 45521417 18815334 21088740 19917560 18566613 15177342 16192478 MONOMETHYLGLUTARATE 155293 1308803 1184801 1265258 1488564 1730911 2108946 193050846 228031327 79833639 111247615 2474951 349558 686870 1845297 365928 1357707 1758327 1409942 1555300 1231960 516546 1336847 235243893 2444764 234425022 868357 1803321 170990832 744840 356121 252138 164263 2911527 1349871 2194436 2396895 1541821 2177585 1810120 2277597 2237293 1665053 1762430 2720355 728255 758313 429075 462804 1073232 1021272 2121821 2791422 1472669 1819323 1910368 1292688 2581102 133870709 1209297 99077311 2040813 908421 833859 708906 936322 524184 721748 1495100 1441629 831385694 631072296 714248112 63025092 4547731 1512010 2116750 285510 1817591 MYO-INOSITOL 1170249869 745403639 1002477378 606355524 387695508 598816658 514451180 624195749 907512903 571908614 335379734 510326301 450124975 410351518 625180305 507145456 323940263 419461237 629849597 454636835 919737211 1115808478 879995262 1301239350 581884776 416892263 759361482 850905229 695881001 945316525 663257971 347393400 495185323 662348656 445342648 572438939 1241439230 834802270 1034007521 718455894 395148933 687873733 874684256 684567637 834159426 651593196 400227230 572900094 622953196 681776735 910054307 512632652 429338990 616923842 1182159117 855741733 580009225 847137704 663659229 1005657709 585667735 372588807 637891252 871552819 579050328 843480756 541381543 438582875 467808125 525308263 544591126 713484508 1133258110 887201164 1079606944 1087316509 959404765 1339414810 800003508 601417026 844184520 740794769 612230284 989994257 789535974 573145282 817929589 683793968 446154715 572014177 MYOINOSITOL 1177104638 746148522 1004018183 606492956 388509991 599126876 514603518 623727116 910519938 577478976 332839298 510733681 449605930 408355978 624663272 508449713 321979968 417392238 631766091 454740706 929623109 1118868170 880887624 1315901746 581835425 415865163 761071123 853414824 696518278 947122703 667211244 345976337 493164852 669718675 444156781 570056988 1246386321 834212824 1035483507 720244570 395332030 690120829 875797735 685151035 836309672 655107223 398756493 573130451 621254104 685632887 907021309 512264072 428109746 614646189 1189844006 868789085 581076388 848253441 662239860 1009162501 586447898 368154565 637954689 874266372 579390973 855044114 540385683 436950673 461393817 523849009 544180000 714539303 1134977603 889551449 1086492704 1091509861 976241581 1348154322 801373174 602172435 843832781 742565986 614109182 1012902843 788354275 572054022 815468278 681069209 444044580 564273503 N-ACETYLALANINE 21140450 16069114 11579017 13286959 14294016 10958447 6486337 11878172 12005829 16434384 9779293 9248369 5876809 6967993 8087798 10595824 6334932 7107822 16601760 18743486 26990735 19450283 21553179 25338385 11347815 13503284 16435680 13673077 15152087 16032889 15086646 8315657 8783951 16165206 8258070 9382446 20391847 17947174 14563425 18883753 15994005 17462132 14753467 12241738 10427738 15195165 12118793 12194725 7031069 14699858 12965367 7346302 8020963 9888707 22933525 28467014 22995520 18427754 17599650 16054518 10567624 10466403 12453031 11527649 10418078 14705751 8888803 8517418 7432494 7837597 9570044 9602279 18278738 23153770 18313243 22120029 32276061 23860296 11159494 11012462 12115094 11773729 12950660 28184426 10648418 9203265 11789502 10763449 8484959 9247177 N-ACETYLASPARTATE 12494616189 9639710946 8136010754 8135864540 7827264085 7550185819 6332772395 9270328851 9876362090 12811992566 7180835405 7801540756 5119499651 6021160295 6698178905 8254251093 5611837297 5951884038 9485905988 9571312595 13241224229 11829861069 11897361293 15973573012 9003147251 9505662864 11510846402 11288187952 11304715605 12873465119 10802886486 6489591620 7201949049 12394507383 7190199950 7393387864 11388295798 9673508226 9514177980 9850617968 9217560485 9829086466 11892269130 9859932564 8799492714 11406612196 8813355505 9143588450 6676902052 12067654181 10567392177 6806315753 7236930057 7911712891 13401140886 14228452821 12390545667 10792741263 10038199618 10822423798 8947907580 8732949007 10270989484 10988865433 9389610264 14006005307 7863854284 7492282480 6722996469 7060196355 8487164236 8071604216 10509773157 11339494085 10267608824 11461270140 14652451831 12632560280 9152843603 8680280138 9779323300 9103170884 9486948238 18746011034 8812507539 7545704571 9221777280 8194020668 6876401626 7326085239 N-ACETYLCYSTEINE 15823086 13976363 13829658 11713897 12090060 12770307 4735318 4594039 7752380 832893 4640673 6049467 5451048 5141876 5264004 4961997 5809769 8048661 7102530 10960432 13834255 14611322 13608034 7103997 7190872 3386978 9707181 2419936 6023875 5859450 9823396 4167135 9696502 11081287 6620345 4555291 17399832 15022586 12016807 12983246 17247883 10966912 1404631 6618390 7003789 7762332 7768820 7596779 4873454 5057012 7919051 7990275 6755529 9983412 6746340 16393441 15997284 16459328 10883935 11015114 8231736 8289944 11508190 7669600 7603199 8394319 7915694 13038714 7297008 10796679 11049712 9432210 14230741 15299166 12329205 10078571 16439160 9289264 7579732 6408283 9414452 8984813 6813096 6711820 7679351 3943817 10874192 6700957 3823470 3982001 N-ACETYLGLYCINE 18546484 14539993 11837240 10747050 10653953 9474785 4332084 9120194 8606319 11948856 7305252 6959546 6956437 7574135 9603937 11740346 7885379 7987437 12648665 13136585 21265288 17521582 16644244 21291453 8704980 9989123 11036082 9819058 10667163 10627663 14464474 8532322 9236879 15692341 8662118 9532740 16846388 13631496 12299449 13935706 11531366 12876204 9957412 9450475 7433654 10658110 8438723 8152305 6951519 13710292 11884872 7440923 8520824 9953436 21539958 21902195 17341624 16352752 13404384 13719871 7605398 8237949 8114697 8173712 7273850 9746087 8761224 9220081 7593075 7383589 10122190 9183341 16548203 18366538 15438322 17352874 23592403 20093674 7157009 7976961 8124051 7415854 8612160 11177459 9947400 12162720 10487838 8206009 8757910 N-ACETYLLEUCINE 988038 1115184 1319054 826181 917016 611600 423639 977191 864482 1252537 831053 814928 834466 590779 800302 979876 835554 990524 1224495 792633 1341926 994070 958762 1775526 956337 941465 967654 983170 1082817 800677 892983 375038 1406356 758003 682622 1098591 1072502 1059621 1159035 796916 1003032 1520026 722052 890021 979050 874323 963626 664805 1546999 1234762 862028 832526 874387 1323600 555918 1181763 1175960 874628 1139015 983716 566130 897068 774088 715459 1380993 982544 792505 628431 791927 1026819 820684 1430311 1227305 1008669 789319 1683990 1420751 932480 859143 1010999 749367 1834361 986687 925411 1028473 1119810 1098887 790042 N-ACETYLMETHIONINE 94603349 76020843 66229066 68216526 66029763 54319078 35840403 58285784 58705752 51148632 51924144 44496107 49520947 63248032 44262657 44067990 64779179 71339369 90374877 85115875 85177113 69174793 68242164 86269617 66653863 77160225 80665505 47900738 58685768 46471070 63705646 106067140 94826639 76707680 92438207 79934726 84530149 60963813 59652029 69101542 64497202 47093166 53849253 57090849 61809857 107164090 113298163 99269025 85777460 89516775 70344525 62337332 66963818 73400755 68074441 64830713 66002425 59986564 53990600 79151826 67544308 88255891 92233535 74624169 87413209 90291144 57428011 54718108 70795058 65850854 71420809 62104644 53286425 71281521 62269158 48190581 49816204 N-ACETYLSERINE 395695660 293195261 246557759 238636755 228410983 207076583 98323192 195559698 176401686 154356111 148618290 147970975 165121881 206919182 253475427 168660378 169473205 270023724 279321758 488680142 373439798 351279522 185001443 213804474 233949365 200239741 220957912 225114035 318791817 180057081 197201913 188581959 199165971 360323866 290670080 259191315 305396664 243049597 280027877 208124167 197659266 159093350 235160015 181922548 174181451 151064917 271483516 162203789 183067900 209669174 438151240 442000450 369457171 344102200 324595735 296867801 167773694 179039798 181268038 172815604 162833797 196007255 198308400 162426152 160806143 209306094 201866104 350317680 384552085 332081746 402817902 498433187 424219162 152419886 165017747 167680183 162164960 184560209 242038209 209589955 258756740 224432482 177040080 187831992 N-FORMYL-L-METHIONINE 39218238 30699175 26205310 26561617 26763346 21607960 16595923 30178940 29499455 24591773 25354937 27888754 30263429 38210185 30558557 31384022 26967685 31451698 40170950 36119436 36149464 34316228 36207146 43975341 34316239 39668756 43227247 70885028 33540679 40951669 34182368 42821587 38861370 36546220 29883530 35341261 32307079 32655633 36715563 31661252 29540435 39865765 33151686 32760219 29843632 37024659 41080625 44133826 41864515 40355482 49074986 37977984 39403417 37436919 33829238 30267780 33616951 37351338 33698932 44389381 47421804 38483144 35608798 51263881 47777411 36921746 41403204 32160127 45840949 59650590 42354648 30602226 30312546 37814429 34899563 37376985 48671568 41591672 56082836 47622036 38659031 39610005 N-FORMYLGLYCINE 503639 482992 594896 504963 858353 3641289 1033522 449390 448812 4432532 469017 1593394 NICOTIC ACID 26064 118383 60962 90216 1156224 53116 887620 108174 196397 16337 306424 91997 120639 505830 84910 26425 46395 36505 145920 41161 51557 47598 86064 22569 49183 313036 48251 93553 O-ACETYLSERINE 395695660 293195261 246557759 238636755 228410983 207076583 98323192 195559698 176401686 257082755 154356111 148618290 147970975 165121881 206919182 253475427 168660378 169473205 270023724 279321758 488680142 373439798 351279522 437517066 185001443 213804474 233949365 200239741 220957912 225114035 318791817 180057081 197201913 332600855 188581959 199165971 360323866 290670080 259191315 305396664 243049597 280027877 208124167 197659266 159093350 235160015 181922548 174181451 151064917 282275451 271483516 162203789 183067900 209669174 438151240 442000450 369457171 344102200 324595735 296867801 167773694 179039798 181268038 172815604 162833797 215378239 196007255 198308400 162426152 160806143 209306094 201866104 350317680 384552085 332081746 402817902 498433187 424219162 152419886 165017747 167680183 162164960 184560209 242038209 209589955 258756740 224432482 177040080 187831992 OROTATE 1132916 1102376 578314 758515 507874 684579 439067 509585 579990 275642 487815 714944 469447 163070 4263334 33115 85766 121240 823144 1735513 2817667 1328855 896625 1215436 759775 686553 561306 638388 609621 713714 370072 407251 451974 222106 293993 476249 1857313 1955363 1400707 1599102 1176924 1424890 794538 1161332 1138197 1497352 908554 899699 540402 813751 977451 333945 659504 450354 990526 1983614 1558236 1290776 3056579 1163723 920809 780589 975035 1076376 743878 897802 833387 622102 555405 643695 761641 766907 1342563 1849825 2644750 2787278 1398217 1498803 541781 741190 779899 767253 448688 1065784 502169 452458 620023 561194 689589 363295 OXALATE 26779835 18587722 16771418 16244505 29095246 28231212 20364912 24688525 22450680 28709303 16739594 21048856 18920131 20265556 19078254 16686196 19543504 17808932 29258965 21789306 19981154 17281037 20657861 15917361 22498812 29495957 22135533 35847069 22200508 19980840 18577270 16992689 16503232 18979888 15779827 19393355 14988302 21392426 16568436 17219518 23313658 17144772 25473508 17608615 27065385 27770378 28482695 20228208 16632089 17022775 13910655 16370386 15982022 15282731 21780160 17971333 26794805 18398528 30570129 18174439 28096798 27131903 19451826 18644636 18341385 23622953 24378766 16725973 17535580 25922678 18246591 14275611 15476859 14710450 26603274 27076575 18411027 16637214 17145101 25658360 29372945 23154018 23187623 30878466 17038567 14093842 15142194 14905019 18418988 26153007 OXOGLUTARATE 48185778 44728523 29501383 25689987 29507809 24772402 27888546 44167732 44474632 17071001 20965913 16148105 18968604 26898435 27076328 18774870 21007182 31104276 33123388 43749144 41262793 39236183 56313859 38601426 20078998 45639119 36387303 44792320 41923732 32097389 17375183 24083477 35665834 23008308 23765067 40612323 38881529 29168898 34544796 28981975 28988789 46056677 39310501 28354066 41351540 27249292 41590962 25310834 35351848 34927919 23687921 21703769 31069703 28495000 36131031 34171083 28824761 33367521 29823717 34251530 22223250 30177106 33384870 27838980 52151655 29683086 27652756 25373771 28853041 34970901 31209298 39286510 41469472 37591647 36330190 44426035 43094322 31960307 28173836 33674064 38002801 40356527 61809256 29946550 24536534 30260504 25388010 22786067 23742904 OXOGLUTARATE +1 3333899 2994748 1675705 1731719 2224671 1694714 5797162 8637583 7956260 5833605 4431096 5695928 5720058 6397539 9849123 9373548 6582361 7562679 2180319 2608019 3279658 3189208 3172406 3792367 7169204 5848779 9472346 7762825 8430197 8923972 11296283 5847780 8751927 12881450 8506007 9231064 2739018 2547052 1931525 2361891 1958856 2137598 8883357 7372668 6804720 8799145 6824545 7543962 7653257 9890584 10383278 6823245 5999736 9166791 1754338 2380745 2274921 2053336 2176034 1788757 6643959 6248944 7630255 8962482 7450066 11241920 8311356 7663639 7158326 7962179 10210457 8752204 2670337 3138200 2582433 2749055 3229073 3121137 8709856 7626081 8755798 7675423 7767810 13982349 8349084 6907358 8458136 7332453 6521988 6807403 OXOGLUTARATE +2 4121387 3527384 1400512 1598748 555833 1045808 8118612 14558343 14867664 9432020 8598025 9713338 14791124 16950010 24955667 26472435 18983623 21464592 1980910 2064426 1373904 3032620 3829653 2246087 12813455 10303139 13021935 12046412 15126639 16594001 34139805 17373455 25641657 41285225 25982931 26586634 3639071 2624239 306590 2576080 1163478 1669485 17390052 14982104 13236561 18357902 12579304 14870956 23057462 34828800 33826400 23083719 22086311 31559709 208484 694168 1168397 2092608 2285473 1343464 11724322 10680338 11951249 16616616 16057636 24209217 29115889 27014109 23449868 27301995 35356543 31087844 4059494 2175266 3315723 3421036 1739807 3821622 17648336 16024606 17111461 14246724 14280772 27226156 29717214 25326014 29968794 26463573 22405084 23290544 OXOGLUTARATE +3 621624 675904 347560 405342 587799 364883 4624467 7198465 6740321 4962695 4326551 4686714 12007037 13839205 19279414 20031001 14885067 17367348 538827 722846 778303 682779 740947 732183 6954314 6095187 9066153 7375801 8244859 7959645 27957555 14836217 22433133 33890587 22402875 21271956 634357 575951 356166 569085 426839 422469 8360687 7814763 7002343 9524801 7685287 8242706 18235581 27899664 25471616 19413788 19401152 26683691 139320 512829 669749 553995 658103 346319 6851071 6881482 7537994 9359688 8187816 11531509 24385010 23572112 20724193 23887085 29450141 25403506 634076 876790 530886 745383 826814 805885 8946414 8552499 8843826 8019372 8634951 14209835 25576821 21973020 25116264 22376616 19111733 20817016 OXOGLUTARATE +4 348181 331658 150630 213857 311530 158963 2679025 4022499 3888116 2843397 2490601 2736761 9685121 11525667 15627458 16733714 12688541 14593919 246140 373430 370989 352389 369378 386634 4069184 3645369 5365314 4488572 4888460 4655745 25247950 13197737 20289093 30941462 20838834 18320377 317195 290729 199439 326650 264750 271636 5141963 4941719 4284004 5949842 4962894 5156186 17060588 26198539 23932228 18871747 19742383 26588316 204131 332922 359077 292905 325755 203034 4356966 4502027 4408366 5676476 5165898 7155237 24156672 23922038 20065939 24131684 29281144 25248917 340294 460474 291636 436360 435841 390140 5594630 5495338 5464663 4908225 5575321 8741970 25729166 22370887 25777887 22854756 18944868 20867524 OXOGLUTARATE +5 55626 75153 15097 42369 62823 21625 820233 1327621 1315897 1029139 860779 875061 5459955 6785504 8558336 9570946 7635489 9059920 23405 63577 37448 48831 59372 29148 1461149 1317341 1966916 1535911 1720849 1617186 16677885 8704746 13768947 20442883 14405731 11401269 32697 33920 33648 78145 27135 16046 1941482 1880032 1562731 2288198 1996736 1886782 10909429 17867738 15664809 13662535 15029530 19915409 28031 63880 71797 62739 92696 33790 1555647 1755180 1549900 2023479 2075136 2644894 17965905 18298756 14750988 17890876 21532130 18734995 51105 86174 65186 44956 59543 28869 1979247 2059324 1901672 1844387 2112307 3122071 19152989 17336102 19001120 17285479 13780021 15224993 OXOPROLINE 433306291 292672918 357476537 267806012 262011799 322816677 390926503 455065011 613614358 591617453 434508636 510914257 883614325 1094843314 1091315393 1147766835 863179921 1031909611 335630369 321217206 586855700 368355414 351578598 398490579 526264847 618441307 625679657 1050265196 587452831 811522695 1630010634 863038649 1058611906 3343853004 1043037400 1221482250 350602934 323153293 350922496 355556397 318847345 364630200 802927406 571822161 555880993 627685487 514161320 598914502 1098200078 1461896607 1294489485 1362354353 1149084945 1142104192 758420548 472558631 416918578 348116691 392228147 465244395 555532265 690325572 698466358 612816443 589742500 851601447 1283306280 1350098821 1267663367 1131868650 1557253978 1307120133 383693582 395947370 398052427 423980077 487295382 418178261 548182039 568566728 796204227 544691815 625438449 2808995225 1157467558 1147441713 1404776313 1123537209 1164560726 1420890384 P-HYDROXYPHENYLACETATE 89577 401340 289582 144889 156416 105632 PALATINOSE 203676330 19471330 19954470 155576384 31827238 PALMITIC ACID 654500923 3242199786 4483880823 4240533835 4495579599 3339963663 2784604395 1208369315 1547470693 1115119287 3556966672 2647563818 3879194981 3114037800 1270964170 526826313 3065205108 3565975768 3184005784 3340679876 3075986312 1805994223 2192325224 6011279625 4017940379 3167619427 3511296106 2807152631 1053847684 1375528947 1587316157 3874683231 3897690770 729048352 3907381572 2784997470 2874488636 4396553388 3520158704 3801686893 3311434350 3841059431 1406862093 1739201260 3296945891 848042031 3630872590 3098786930 2577458990 928079755 1709101574 2599575316 3523766306 3442798679 2440802740 543950580 1850479335 3024173529 3886392715 3912146521 3301095736 2391543846 3871775431 1515412320 2920999126 995675335 4131389110 2926197167 2379881736 2549208307 2016971448 2139008366 4361771824 4482126762 3753780972 4339014058 3523523328 2363055774 2928243135 3441033765 3025818794 2224646137 3918814573 202760304 2012599219 2978723279 3976533194 3763302835 2509293987 2640565229 PALMITIC ACID +2 8386026 40121417 55901475 53181855 55694253 42010078 34698246 15272870 19489824 13930391 44832416 33782676 49707558 38856637 16119429 6395282 38465172 44085135 40590563 42621189 38401580 22756873 28389877 76089724 51147744 40342597 44296125 37014204 13139810 17567526 20403689 47714002 49917553 9894303 48972818 35798360 36012448 54692530 43895499 48135760 41760494 46870910 17488187 22105713 41453234 10639604 45543704 39117577 31426817 11446393 21374199 32886205 44408359 42498382 30188898 6934431 24089866 38462424 48777779 48981684 42217136 29524716 49673197 19070282 36522302 12547313 51383792 37647969 30839931 32193712 27176114 27891024 54570241 56860961 46624224 54047113 44168171 29781899 38075450 43121889 39276626 28368460 51592275 3006422 25324205 37828223 50415894 46357338 31300456 33524003 PALMITIC ACID +8 2939 2868 4228 2921 10736 2679 2311 6118 2856 5047 6697 9078 PALMITOLEIC ACID 5490630 6985415 5114010 6429421 4114915 4873164 3471570 5778956 7373079 6107861 6462956 8976114 5760290 4386990 15470810 6883955 7636525 3875917 6072408 7863497 2408041 3613621 9854596 9803658 9460057 9214558 8361598 3441601 4843102 12493837 6866232 7897633 10956541 5154185 9529708 6730328 6330098 4943840 5581196 5227347 6073999 13570529 6192131 7538983 18438048 8702419 7951824 6504035 12828832 10414793 6321521 7362399 9690909 7767839 5728028 3975288 4684740 6433118 20108056 6272906 13851792 7514319 4458108 7162540 8648223 7829276 7549044 5417527 5465956 5971532 10188148 7255784 5691702 7737443 8078899 14241240 7405425 10560936 9022129 9770394 10006962 7627283 5987612 6113212 7108493 6458086 8195031 5130171 7415447 PEP 2118066 966854 862816 777268 564811 780798 1170319 1130540 1132745 1208992 737002 814417 506063 843510 658139 1280685 430796 486376 1321305 960746 2219085 1753888 1848582 1924982 832988 1085208 1549460 1517636 1757874 2100226 1440822 369971 526957 1031091 529643 849072 889518 758177 882617 834328 1848081 1034810 1159179 1261935 812698 1035084 657134 849337 456305 650578 536891 498611 918523 490664 1930983 2107615 2615149 1303694 2050164 1776256 943737 1167593 1474567 1894638 1542149 2306068 667659 549387 534915 510730 1030066 1017793 657887 667911 1495964 806664 1129967 1185071 696191 533791 777587 965653 722217 2039952 398484 374513 724687 345536 583990 273757 PEP +1 193809 71292 58418 34248 18551 48210 39089 75779 105198 97489 28579 44595 15759 30989 34962 67587 9106 26132 55144 43866 133137 106288 87639 107600 54594 62615 93013 84881 101167 127306 89536 18112 13667 91190 28538 56996 50464 16516 58034 46063 92762 44683 133406 160983 50752 67134 23659 46086 43340 53195 41667 30424 27337 28827 141496 134418 141464 74467 104668 79003 75585 57084 127498 135380 116479 154066 31618 52078 28919 62178 71149 45714 62258 41698 62682 32265 81182 66692 42668 17556 67730 37777 39607 78834 37332 9915 53105 10388 13709 9054 PEP +2 26087 24888 69710 49478 38060 89955 158810 88027 207648 72418 148179 47624 39138 120677 PEP +3 68457275 28005946 19835084 20990929 16597063 17590973 19354988 36008665 37149453 41481898 18454212 22821815 18432980 20645786 23763133 28305281 16631656 16615704 19698644 20300445 40754720 29330065 33234220 33965506 24869861 27287223 43043830 35659876 42520119 47914808 44810934 16912709 19310103 43052756 18409469 26796246 23939472 19149042 23975310 22386177 26930710 22799151 49026515 44971009 26330923 44667275 27312941 29666345 22252929 41107185 32237133 19426383 23188036 20752879 42096637 48472481 56188788 28011833 39869499 25516835 30827557 34415442 42213897 50620943 43067717 63686599 25781462 28305616 21284256 24031355 40179454 26533988 21131243 24040952 18600249 24601500 36707214 27343186 28271497 26635692 32115907 24171277 26490079 59872246 30474730 18436247 31145165 20636367 17769473 17220138 PHOSPHOLACTATE +3 41537717 12194351 4914163 6043258 6822164 3720636 3670190 7010821 8972325 9760645 4144154 5242954 3572383 1747389 2944771 3442655 1796626 1610229 7402123 5965559 9725564 9670138 8854992 17719828 5620739 7531453 11376454 9002395 12680726 14771815 10674642 1946365 2301962 7744871 2267511 3346547 12447236 6453125 6835673 7459904 4777059 6016620 23647082 9212190 6943891 14759277 6530702 8331855 2655664 10750967 6269409 2461518 2842282 2965284 12276670 20732842 23595575 11749021 12574549 9549358 8822055 9040010 12652600 20249227 11921748 31336788 3708092 3772990 2590336 3512326 7155597 4345683 7827495 9639448 7042236 9208500 15709188 12214644 8692201 6506403 7420973 6126203 5825185 28251197 5406952 2568365 4038695 3170089 2067383 2068206 PREGNENOLONE SULFATE 11438 14558 5880 11400 72925 4113 2680 14715 13931 9023 4145 22575 3578 3002 68248 37082 11991 2766 21320 12812 23091 6521 3082 8686 13334 22205 12620 23003 6194 3899 2687 PYRIDOXAL-PHOSPHATE 152656 11494 19891 19862 10416 23981 17779 32757 42599 106459 6255 10104 9572 8931 59072 120866 10671 26873 18602 21494 188954 57935 131773 317292 24350 14315 40883 37004 142443 238903 244175 16008 49516 469573 23951 60769 73689 37395 48660 74910 26327 23558 131850 101658 41387 74735 24187 26866 32737 325106 197175 32902 129229 59379 123759 252065 313989 151384 59849 79253 43647 37959 103649 102209 205097 374381 131532 183469 26280 27500 263066 226588 16389 84700 24407 39585 123550 140605 20702 17131 20961 19556 47830 973129 114154 32796 155634 113957 54491 18826 PYROCATECHOL 90473 96329 78731 136252 49849 33430 42593 62083 27169 32338 37800 23301 131532 46974 PYROGLUTAMATE 433306291 292672918 357476537 267806012 262011799 322816677 390926503 455065011 613614358 591617453 434508636 510914257 883614325 1094843314 1091315393 1147766835 863179921 1031909611 335630369 321217206 586855700 368355414 351578598 398490579 526264847 618441307 625679657 1050265196 587452831 811522695 1630010634 863038649 1058611906 3343853004 1043037400 1221482250 350602934 323153293 350922496 355556397 318847345 364630200 802927406 571822161 555880993 627685487 514161320 598914502 1098200078 1461896607 1294489485 1362354353 1149084945 1142104192 758420548 472558631 416918578 348116691 392228147 465244395 555532265 690325572 698466358 612816443 589742500 851601447 1283306280 1350098821 1267663367 1131868650 1557253978 1307120133 383693582 395947370 398052427 423980077 487295382 418178261 548182039 568566728 796204227 544691815 625438449 2808995225 1157467558 1147441713 1404776313 1123537209 1164560726 1420890384 PYRROLE-2-CARBOXYLATE 1958234 2371012 2913665 1404750 1927206 2073275 1350621 2728959 1897547 2116593 1720007 2130457 2261660 2080771 2053433 2090972 2218756 2807267 2400338 2260961 2525902 4802964 2756906 3525066 2124696 2187007 3545551 2390359 2297668 2106769 2330332 2129498 1896509 2669324 2489121 2110582 2261258 2088938 2589818 2487954 2375462 2356617 6127712 2711953 3601711 2624609 2261078 3703370 2320156 2362841 3579645 2471878 2580616 2545780 2187174 4099271 3597811 2497834 2752521 2313033 2263285 3115251 3575523 2466483 2536189 3422216 2370944 2410073 1009118 2295236 2665029 2404229 2257921 2696481 PYRUVATE 3172347 1550232 4163929 1616855 1785628 1618784 1039241 2509668 3660774 972707 2101618 4585019 5386835 6232356 4044974 5392315 6392939 838152 1894825 2228615 4255284 3409274 4048440 4233418 1664447 7271567 9312754 4111261 6731909 8922319 4055460 5598262 7613389 5731205 6258920 3495242 2734256 2330061 2698471 3073791 1569114 6946164 5756840 4985271 4984843 3221639 3274154 4667960 1786300 3046173 5902714 5262630 6506891 10261328 4225312 3905691 3521990 3300726 3578017 4757872 4492837 6130935 6273362 7744665 9787756 6224002 6686332 6572362 6263616 8832711 4917324 3913026 3574281 3132111 3156406 3033009 2469676 5634651 5414959 9696870 4546777 5808654 8945682 5213084 4692652 7185221 4652967 5055784 6007042 PYRUVATE +1 74202 81985 116474 79657 85930 81442 45943 111566 168622 48250 53195 146489 448122 465744 539968 427218 460187 511448 103885 119911 244891 185446 122510 165503 264454 260814 374457 467400 242169 357919 964041 443299 588651 789665 651350 497128 96923 98101 109807 80942 148629 107003 451759 365632 344805 373504 306221 290452 421544 391241 471878 511161 524989 611927 455790 245605 166114 196078 221837 224973 347659 369668 369029 398603 379607 727204 622935 634345 656139 562625 746793 676310 280983 228239 222729 234140 204971 159653 427792 400450 627232 509928 456811 795353 551863 404846 757771 449857 438517 699957 PYRUVATE +2 58166 21231 84822 44201 50273 37346 37289 67796 126203 5487 47894 133906 632910 628416 698619 627001 643593 792545 15346 115027 104475 66172 86498 136153 207102 151685 534650 645440 156710 318973 1752988 672383 968160 1553402 850837 771221 137555 127227 91357 108633 111547 113192 401303 391082 338244 351240 297199 362594 697388 571249 757324 949034 1080271 1205189 237161 95954 34904 111566 139335 97011 416793 408314 506225 432211 520094 943104 1136094 1504008 1256957 1280985 1773045 1294572 153191 147222 111972 115730 128603 51643 415892 397491 662256 441687 512086 770803 1168255 802633 1500733 964498 877220 1116353 PYRUVATE +3 3363169 2330340 2329576 1545784 1613562 2204469 1976958 2695010 4056247 1755568 1892937 2750373 11192859 13083286 11910644 10574437 11487212 14668758 1270003 2374148 4146710 2835314 2432909 3128881 5079777 3983130 9145882 13147412 4930768 7524977 27838678 11335645 17480151 26119132 15784193 14763900 3478870 2911812 2324081 2721395 1793241 2091385 7643104 8037278 5845741 7056141 5538228 6242870 12598089 10171480 13856848 17180806 18620397 22296127 5617947 3806909 3026707 2706045 2756923 2414822 7355816 6699646 9553690 8726203 9829409 18048133 20800790 27509522 22100432 21696431 32057286 22258874 3239344 3474553 2533389 3136620 2979194 2257937 7479464 7003002 12643517 6386349 7634552 15810693 19818153 16339921 25248033 17337290 16700444 22239321 QUINATE 6250779 2990786 QUINOLINATE 243508 206299 251257 87289 63093 150875 47362 182913 345567 223374 213874 56526 47947 188621 145966 235751 115314 230008 192784 213833 214784 208403 282450 252539 130319 155076 157754 183587 225714 150001 220018 133803 219955 170891 227254 324647 177075 234182 269594 246151 215417 293556 161358 81780 106647 166383 98874 283289 317969 125235 108364 178812 175465 144583 274324 170651 240768 159085 170122 99244 213545 116870 141665 167543 248539 184122 275350 289899 196411 201274 229946 208163 174395 350088 242104 245769 84835 137349 101601 RAFFINOSE 18796 9803 21996 17174 33712 10800 11059 14406 15094 16425 15100 9681 80593 18215 24548 74122 10029 14215 57972 22352 18226 22572 24489 32858 12536 21015 14158 19014 47336 11895 13868 45226 18309 35749 26086 44774 13334 4860 21009 10228 16895 10925 8578 13194 14028 15359 9754 9896 12121 3441 24321 23078 212542 16703 27124 14828 14342 32104 14345 17544 14247 30677 15161 9823 14556 12955 6793 35716 30541 79511 21418 48321 58670 11069 26161 5542 16525 4531 30751 14764 11356 9559 13646 RIBITOL 1824185 1419331 1190045 3685604 1315223 1020540 268202 557127 619675 1182900 414178 381085 2796251 1225994 2900670 3415617 195006 169261 1588482 1662482 2164557 2255929 1985943 3473853 593971 690551 943467 852877 723650 809240 4367268 301138 2249943 691531 222593 2259468 2048361 1715216 1676344 2029418 1619694 2015843 1124776 629642 595253 1031729 621240 673663 365016 807632 792232 334197 340616 428525 2838735 3528885 2424433 1994568 2078063 2202904 664814 761554 842260 874954 651382 1271446 547303 490641 3511138 412427 4156855 547572 1889339 2164588 1993647 2531800 3457319 2644574 597738 660048 858938 751710 805645 1919782 537270 413723 526685 478796 415471 371703 RIBOSE 5-PHOSPHATE 3894649 1114419 913246 892669 590715 814786 1245343 935043 942753 771951 310310 263808 1122849 526780 2080270 57045 83307 1792192 864811 2790668 1855879 1575880 2109141 453954 1075720 877762 1259810 1067722 1492601 1461431 64459 602525 272961 173929 346608 1960892 1351456 443532 964316 1178620 1304770 907350 900127 876539 630083 1334967 158550 1225268 394427 370351 1270772 191392 2923351 2133954 3030930 1199398 1354054 2013475 680245 444420 888439 1566750 678756 1705369 344713 96743 237584 151567 910047 1815345 1170624 1440637 4193840 1374779 1946443 1248669 935846 570709 994759 1194296 749090 2487942 44295 164106 1415216 182475 573817 184553 RIBOSE PHOSPHATE 2832209 841921 679845 758030 410554 685460 1617544 914761 678126 586438 843192 335569 307236 485159 622457 1914842 188881 232514 1097424 629295 2008083 1679760 1432438 1728771 439375 787098 588753 868193 750783 1081250 1327960 227097 516935 528459 367736 391559 1955334 1110997 671582 711420 2368547 899355 934405 528969 679398 567006 403272 1135997 324061 762726 585997 374734 1246246 320018 2488236 1615143 2127185 1056872 861338 1738412 567030 507223 523322 1078735 501773 1155264 532276 371637 383662 367323 713882 1085360 1030298 1173333 2759024 988849 1500720 1356594 823925 355264 691272 1211004 574329 2508754 459986 395907 907740 331482 599716 257153 RIBOSE PHOSPHATE +1 36115 84800 47815 121422 81702 129223 70392 87825 79100 59200 93815 75828 34203 31651 76639 64445 25948 62438 109971 70088 75588 RIBOSE PHOSPHATE +5 18202 RIBOSE +1 240418 155536 136934 137371 208868 101084 19905 22970 60061 530704 61034 44031 36195 22517 23157 69605 24757 16724 122339 125734 358562 327844 284750 349018 42156 40350 134614 79022 41501 43226 88779 10066 26703 89647 82781 32045 93634 202070 111164 71505 57223 137888 50734 18903 32771 80867 14735 54043 45382 49901 221484 24551 293825 393161 188734 167111 166870 160320 26454 132423 21368 40720 23253 34450 26567 23958 33340 17965 229236 121433 268389 236962 246413 334041 25208 27955 66723 61222 215522 43363 19793 23662 20043 20644 26338 15232 RIBOSE +2 50003 26691 40269 45580 86676 29921 42766 78341 90625 115674 35060 49307 74482 112430 42637 150082 RIBULOSE 5-PHOSPHATE 3890543 1134971 1001164 1040155 616695 999596 4162100 1516816 977539 32992 1024619 524387 469215 1238016 955783 2519542 292543 466668 1634590 896607 2866824 2114494 1866763 676977 1217609 877984 1324237 1190438 1613384 1886712 22074 760043 14802 595833 747271 2048421 1536480 1004241 1017604 3159270 1215526 1361720 1010177 1033927 903045 630062 1581772 484451 982085 692849 1694872 11177 3085321 69278 2943167 1397425 1416904 2186449 805490 807980 1001509 1820975 740051 1002100 9126 668879 542711 1814581 1240934 1623112 5590263 1393805 2079502 1922092 1143976 570523 1059980 1633947 816584 18304 9478 720266 1797586 569446 1068174 484969 RIBULOSE 5-PHOSPHATE +1 18725 9302 13368 64643 13887 14430 14105 21222 12037 17537 49383 12962 13115 12150 RIBULOSE 5-PHOSPHATE +2 67011 31369 27935 23039 12805 28168 14077 27308 9270 481537 443482 270807 14863 251148 101447 34425 10448 20001 11541 24253 44176 34163 84079 170253 323547 25558 13350 28190 77605 16028 8788 RIBULOSE 5-PHOSPHATE +3 356925 12977 31184 57481 31604 10391 32462 10673 283819 221218 244921 29557 42662 34389 37991 62663 126137 44036 13411 29854 50670 8326 439115 12028 80307 12662 12329 15759 15367 52960 154742 93012 12291 12850 13939 13926 12649 RIBULOSE 5-PHOSPHATE +5 8132377 4128465 2767369 2797297 3129022 3048913 1764362 3045415 1783941 2176269 1343934 1407002 2943276 3461230 2456716 3581411 3631416 11101702 8030318 6841501 2592671 2605707 3705024 3268070 10096 7648370 2873538 3560666 3535053 2587434 3317890 3119996 2536633 3195255 4753872 2390119 2223673 3749547 2104308 2594359 2032417 4481225 2150514 2438686 3132302 6730170 14461 5407563 5152134 6866807 2461683 2561508 3743638 3489053 3590973 3614482 3015301 4003256 2941553 3281035 3353681 3933607 6538808 6248996 2320819 1807883 2353222 2049160 2347085 3374994 2141182 3660696 2300148 2486141 SACCHARATE 14813074 11454757 8290786 6436026 8408577 8112437 7667894 20530099 24458498 37452164 12508330 14836897 4843559 8995225 14166400 11090504 8828919 11022679 7628802 8670515 14140561 10808015 10260723 19458566 15150614 16068511 24530623 30065070 23678112 27062681 27931234 7238889 11082110 39504099 11621269 14857661 7868430 8188243 7595357 9218087 6748220 7196302 28949748 17250209 15250185 24409727 15846794 16379183 10165757 20112391 11477858 10375058 10992375 7143513 22101834 16105983 13332473 8278823 12418144 10095299 13441231 19655490 20869779 18303469 16525550 38927594 13080172 13485997 12403512 9450598 22749308 12467893 9394299 9813526 8844101 9970564 19026323 14199456 13765798 17180493 19674975 15160370 17274293 96926247 11453452 6701215 15655334 9773765 11097485 13173116 SALICYLATE 36850 SEBACATE 1246988 2123116 2129562 1270698 2776494 2014434 1428128 1580374 3432060 2516442 2762839 1893514 1653342 2037792 1852597 3313137 2396656 2287369 2187938 1542631 3000065 1891187 1890711 2654327 3000599 2538340 1969788 1161513 1214020 1753579 2358590 2135351 1768593 1635151 1644045 1960000 3085951 1302229 2344014 1865133 13071878 2793950 1228324 2082521 1767121 1775975 2956796 2979269 3066802 1951851 2248295 1931667 1604846 2059953 1637917 2780864 2819906 1757804 2317532 3005347 2186001 2370087 1900940 3893734 2629771 4125784 3644864 2659462 2085376 2186786 SEDOHEPTULOSE-7-PHOSPHATE (D) 1267193 737786 515631 584723 581319 521356 336173 419730 520054 499822 292048 311336 73102 91803 69705 141665 43756 75020 623219 695781 931802 831109 920930 1203468 291624 382002 479052 498979 448754 490705 189451 83328 89267 92307 104754 81671 1093326 964875 803695 842662 967926 950085 567262 628404 414160 540045 424466 437548 119817 180981 161603 135061 173847 111580 1297630 1556416 1537488 1039073 991589 1268419 465175 479642 581900 652162 502376 665897 105021 129773 111205 86156 135141 149584 948388 1089511 1104821 1049365 1451718 1228820 463188 434694 517369 371079 433493 1090401 88126 72301 147020 137554 115315 125100 SEDOHEPTULOSE-7-PHOSPHATE +1 5350 SEDOHEPTULOSE-7-PHOSPHATE +2 5132 7893 7132 SEDOHEPTULOSE-7-PHOSPHATE +3 4029 6466 8571 7114 SEDOHEPTULOSE-7-PHOSPHATE +4 9133 10713 8516 9891 8072 SEDOHEPTULOSE-7-PHOSPHATE +5 8517 7835 6999 SEDOHEPTULOSE-7-PHOSPHATE +6 8753 4707 6936 8227 12140 SEDOHEPTULOSE-7-PHOSPHATE +7 10219 5720 11100 4863 10040 9718 6181 5535 9853 5642 9704 8216 7109 5294 6219 7887 6857 8080 13542 8136 6117 14316 4554 13018 6262 5165 5370 6703 6047 4346 6141 5282 6910 SEDOHEPTULOSE +1 40541 28313 48781 38474 18182 90891 37034 331625 41292 35085 58207 13553 50702 46912 52453 66532 69034 SEDOHEPTULOSE +2 2088617 548274 946430 1770103 2463176 2266695 2483031 1925145 1245350 2050223 1549788 1971754 1545494 1258901 961475 683335 773496 998057 2088465 1245690 1087506 548317 567321 663932 1037885 1484321 1484753 1565086 1361971 1305978 1015889 819166 1390231 3026366 838062 732765 1190666 1064148 1633057 2597828 2717455 2665041 1777973 1112585 1152976 1665659 1116817 1330692 1613341 2715415 2223615 611806 1069990 1391335 1024924 2244110 1705515 1061072 343483 1579699 1081406 2378834 2765864 1200785 946436 2264590 823837 1186882 878113 1621598 727146 787571 799424 733172 1362749 1791310 1324928 443771 1050721 1050758 1205600 1082869 2083761 2755497 1316517 1006933 1049200 1366983 1146107 1716232 SHIKIMATE 14782474 16231400 13824741 11779026 10225944 10283516 11153645 11165339 13465854 11943661 12326328 12126436 9750370 11246739 11073968 9796153 13911528 22123074 SORBATE 401956 626159 819326 248266 237010 592049 503796 1144285 987585 956951 707931 394758 721562 588138 408036 SORBITOL 35309827 19981231 18545497 15357049 13932729 12009904 3525508 3666906 3138984 1889044266 858542029 1941951366 1721798487 15221121 17128546 30439288 27697801 23075426 43548778 3219602 3115460 4139372 3030469 3843008 2463992202 1494545152 4232601 1473699335 27401819 20745101 20887214 19680916 15982860 19597184 2967027 43032603 37139756 33181760 25000416 20325929 24596961 3099220 2483695 3912213 3098625 3484154 2060410958 7158951 2694337584 24572828 26199979 22458082 26199121 40871165 34719570 3169479 86031052 49904826 74461408 191689936 2663847 SORBITOL +1 1842534 1185986 904181 882627 753544 711712 35768 64779 125595 138104 29988 47694 112283641 51028075 116485089 100624086 78366 35589 881436 982813 1635920 1524727 1338218 2236606 68828 105127 95306 208543 221562 145247 144992697 61640 86132124 202836 99222 85892085 1494369 1185017 1110491 1200026 970828 1008488 138647 52826 76711 101576 104958 82320 58417 136173 67128 42640 34282 58309 1901359 1883233 1654333 1343468 1096246 1351802 78613 42411 82373 99103 68216 243906 74519 33552 122470185 423557 159860708 58334 1276793 1438156 1194953 1643571 2173350 1831224 116611 51125 4247736 2677156 3887881 9411233 152236 67295 65544 96027 64519 54731 SORBITOL +2 65286 43093 33083 62530 36098 45576 46856 77929 37788 65264 79060 55523 39319 154323 30816 27292 31315 47994 38663 39165 72997 54976 38238 72619 36028 78112 47846 37213 38863 25263 37249 78171 47833 35344 30562 52947 28446 56388 51572 35920 120547 46651 38006 48915 39982 60511 55182 100470 37234 33818 28395 51071 75879 37360 38981 263022 57432 32049 58727 64162 46098 49116 59632 57058 39989 60382 40895 58423 39746 59649 37546 57425 57552 31098 67210 54651 35050 35370 37874 46884 35136 59047 35700 46758 44684 40064 49485 30006 56194 54885 SORBITOL +3 3161 2745 2647 2596 3654 3950 2174 3452 4591 3257 5908 2525 2988 4703 10065 2303 2681 2993 3280 2695 2732 2699 2348 2512 2718 10081 3970 2572 2858 2610 2678 3012 2479 2682 3748 3891 3769 2801 4330 2325 3127 2484 46673 2464 6547 2570 7850 2864 10096 4455 5639 2544 20040 4393 2513 2518 3006 2570 2499 2406 5571 3828 4916 3775 3591 2957 2168 2668 4694 2634 6749 3158 2627 2736 4189 2642 2342 2398 3844 3289 3999 2265 9499 3291 2635 2149 2507 2715 2667 SORBITOL +4 15293 29212 30379 16113 43859 43075 16653 35806 70938 43991 6498 43718 36260 53875 36596 78943 18820 10748 18192 14633 7131 26599 21984 17697 73323 19506 14901 26459 19792 30481 59149 59613 10150 51426 17419 37815 15967 32086 21544 16531 11791 9386 83035 79978 12343 54080 18290 47238 41084 35169 55276 19587 13174 53601 21788 17560 14495 49158 20403 19655 63556 20811 43097 16055 40181 41172 27529 61599 91743 12754 39727 44792 24434 17931 21405 33454 67903 28868 18388 23175 9824 49938 52586 59476 22976 51410 27259 92308 19575 56539 SORBITOL +5 2673337 1936642 1635268 1299551 1244798 1213675 1596253 3562105 3790275 5262654 2116763 2280609 348713 967227 938882 1612972 1768530 1903450 1316471 1565482 2685136 2799624 2086711 3808646 2683931 2949264 3750436 3556620 3969621 4399205 1119287 1952767 697952 5784992 2046299 762360 2411646 1746732 1740218 1763844 1449040 1556139 5995459 3558068 3090245 4727096 2744815 2862099 2559345 7839679 6448888 2843929 2843360 3399651 3342042 3243532 2624202 2116667 1469200 2020993 2844572 2518235 3674214 4586054 3139760 6208959 3547125 2969223 367306 2497428 678445 3627259 2453907 2812507 2228668 2425475 3879110 3345486 3094253 2905006 4034228 2943328 2977825 8199198 4822246 3322987 5008486 3931682 2881172 2828690 SORBITOL +6 40172201 25412741 21900883 17996906 17235065 14516232 24455004 51458904 52805448 76941829 30206294 34508988 12226714 15989618 18013239 23999357 26880438 28514209 19583594 20154719 32769415 33686069 26988563 49488704 38518964 43005124 50695430 52111270 57385126 63847726 29574735 28265699 17916155 82717821 30175177 19960660 30494354 23604115 22640789 22737423 18237218 20170720 88493888 53660109 45389201 67683284 38227185 41620837 38311089 111286410 93395875 42120177 41996705 48995370 42563028 38869144 35367259 26551739 22548077 26666750 41846035 35022904 52213012 63358201 45092098 91491287 50761505 42656345 14667582 33666743 21207979 52482915 31514591 33826689 28585839 31861397 50423657 44239538 45388156 43501742 56393546 43012711 42987413 117258404 69547758 48429988 70094237 57168127 42526313 43535990 SORBOSE 1177104638 746148522 1004018183 606492956 388509991 599126876 514603518 623727116 910519938 577478976 332839298 510733681 449605930 408355978 624663272 508449713 321979968 417392238 631766091 454740706 929623109 1118868170 880887624 1315901746 581835425 415865163 761071123 853414824 696518278 947122703 667211244 345976337 493164852 669718675 444156781 570056988 1246386321 834212824 1035483507 720244570 395332030 690120829 875797735 685151035 836309672 655107223 398756493 573130451 621254104 685632887 907021309 512264072 428109746 614646189 1189844006 868789085 581076388 848253441 662239860 1009162501 586447898 368154565 637954689 874266372 579390973 855044114 540385683 436950673 461393817 523849009 544180000 714539303 1134977603 889551449 1086492704 1091509861 976241581 1348154322 801373174 602172435 843832781 742565986 614109182 1012902843 788354275 572054022 815468278 681069209 444044580 564273503 STACHYOSE 10916 8483 7924 12827 23307 8781 8478 9572 15010 9622 9535 8821 10634 17653 8434 10398 10763 10191 7450 10238 5704 14776 9444 9798 6787 19476 21863 9471 22951 8177 8051 14380 9637 20139 11263 8740 9117 8134 14797 9864 9353 8353 10866 121605 6937 9613 8727 6900 7011 33858 23514 8233 8024 14541 13636 8791 15221 11279 21609 10487 9232 5222 13087 8387 7908 SUBERATE 2300617 1963943 2072664 1801778 2711628 3725987 3338361 2398056 2323092 1806139 2670838 2982130 1621234 2591212 2706916 2414758 4342629 1754832 4207221 2231814 2628432 3487385 3435277 3374436 3218218 5695605 2032569 2110862 6132606 1713622 2447682 1849370 1469393 2375318 2013931 2264553 7382401 2507840 2244258 4533076 2497311 3028537 2540159 1877895 2741385 2114614 17881323 1664307 2069269 2328976 2454160 3129577 2755369 3031257 2663030 5984593 3058289 2501074 1505043 2340815 2752056 2500215 2490152 2476443 1947339 2052359 2447845 3114757 2083675 2711528 8863055 2667608 4469541 3318479 2156190 2378049 SUCCINATE 32767944 21626942 16809957 19588692 16333306 12372311 17743484 22504750 26141121 33009549 17885649 19648927 15501759 19252772 17497218 20200883 13813676 13370576 21288069 18675010 25362105 18205609 20600004 23919692 19009715 20672447 22253837 22410327 20478933 24970825 24445932 12967399 12834379 23516682 14230160 15712964 28555271 25610894 22362337 23518771 20919927 24276418 28770494 23437751 21938162 27987835 18573476 21728267 18327908 27193891 22922429 14318028 14109002 16942452 23117464 28716183 19758466 16195780 14712231 16183364 19135663 18124739 19134705 23096075 15605246 24806074 18245014 15426254 15319509 17066887 16504818 15010380 24794020 30352227 22041102 26735974 36974380 28974126 22292821 20332538 23826203 21619609 24618622 45521417 18815334 21088740 19917560 18566613 15177342 16192478 SUCCINATE +1 2648276 2187703 1480760 1653249 1741321 1255836 4783381 8578912 9210531 13435148 6570690 6232158 5110858 7077833 8161694 10733097 5740310 6064813 2145055 2165833 2652488 1951201 2039303 2288937 6976283 7718407 8507123 7629052 7950466 9713043 11496957 5422736 6209974 12580795 6109932 6521285 2398109 2091043 1968785 2360032 2269173 2146761 9434042 7825007 7183187 9884314 6900056 7201130 6504975 12520394 10452354 5677115 6250412 6908574 2367547 2879004 2352373 1595332 1439008 1450057 6549379 6329077 7046262 7982318 5109244 9329933 7071678 6320750 5554897 5681295 6615434 6427063 2203773 3314471 2389702 2932165 4192353 2799659 7252675 7236230 8073258 7396458 8362538 18415249 7449319 6402933 8393546 7586571 5912716 5923051 SUCCINATE +2 3353149 2945178 1898522 2487307 2530633 1715937 6024849 10924031 11647457 16890741 8340248 7969516 8860223 12445897 13459341 18623163 10702614 11351504 2897584 2961766 3593509 2403372 2751689 3245548 9513533 10577097 11562257 10424245 10463487 12219662 22106862 10643199 12298765 26076161 12084011 11581697 3961949 3503352 2689763 3737709 3200696 3177753 12971343 11523714 10315032 14165050 10583211 10732230 12819131 26830524 21426756 12446205 14231687 15874631 3634537 4403681 3254383 2381824 2082864 1922707 9433894 9207669 10027849 11342640 7436541 13034149 16050033 14897352 12931401 13303280 15259510 14969958 3439507 5433610 3520454 4782992 6532260 4142104 10244170 10508879 11570433 10745460 12283274 26926426 16942033 14329452 19199638 17444668 13083797 13814451 SUCCINATE +3 390588 385207 242930 339531 401455 244496 2828574 5534659 5583847 8335068 4241633 3914131 7181822 9930005 10987909 15353570 9086846 9664988 464615 564161 616759 289469 385468 481067 5168983 5797170 6176658 5458265 5454574 6474917 19345764 9382880 10914366 22702318 11121625 9973140 523447 468073 329807 571860 529530 523241 6691385 6381141 5255803 7604765 5748424 5561283 11272959 23921896 18744502 11295905 13514063 14845366 553723 703269 444844 345404 292894 291781 5160193 5216297 5130640 5812465 4007743 6771280 14548779 13688390 11541087 11858054 13681249 13091631 490800 865444 541864 761276 1018988 573627 5148938 5674372 6037164 5758847 6869065 13581670 16271575 14003699 18369673 16464119 11932424 13105919 SUCCINATE +4 744350 574437 511605 612990 346960 435998 1344646 2337362 2726696 3396588 1747338 1635223 4821382 6729860 6717553 10081317 6351865 6583359 453563 265145 155455 478956 428574 1135132 2558589 2552776 2592647 2699588 2255785 2594517 13724670 6969269 8133282 16655869 8332506 6839105 551275 449723 375423 667545 670100 731587 2705637 3053947 2318873 3732277 2978085 2493925 8003645 18786277 13563557 9272301 11704894 12104487 1126559 831909 882056 787315 581859 497714 2078266 2762069 2208470 2586077 1932598 3404935 12180141 11408079 9627618 9952179 11867969 11302878 627276 1039051 872540 472935 745620 940841 2345899 2742662 2346391 2956545 2923042 5290190 13361148 12226246 15494661 14056566 9787457 10408306 SUCROSE 203676330 19471330 19954470 155576384 31827238 TARTRATE 13154819 9365289 11575005 7089997 8639859 9659483 6411788 8719910 12980585 14382954 8560723 9537339 7705230 8901238 19660891 9640598 7017809 8321029 11493067 10947720 17360925 12752712 11432323 16048233 15086956 12643136 12901385 24659565 12523203 18310335 15171630 6981574 8693679 18854839 8842913 11413741 10034286 10155210 9959055 10640360 10408075 9177473 21491142 12482451 11608475 13461603 9089338 10759757 21659947 13326933 11073404 10268923 9500477 8978091 40405648 15171128 16557133 10943426 14695769 14660707 9324661 10962527 12302527 11963772 10985186 20358243 13337227 11478510 10756675 8695475 14408551 10094953 13170571 13131455 12386419 13523553 16315994 16202623 11661840 12045096 17364862 10551337 11667842 25066337 10808367 8138258 11562628 9076436 10178362 12113912 THREITOL 221678 212068 176815 235265 245109 140789 4495 11636 27646 10252 9188 16002 36717 10286 42676 42256 22078 19427 311191 271118 543537 390874 309716 596189 7292 14987 36312 23616 15135 14641 102534 26296 34210 69068 26557 49947 302251 305338 230767 237061 210114 305395 39723 9315 11210 24180 9554 7428 26831 79656 46952 30240 43872 49080 105120 328782 162715 270079 189377 218303 11420 9253 21869 22145 10078 22901 52046 13703 74267 30554 66445 41566 271843 306992 279939 297669 439982 346527 4937 13400 11015 13225 24864 73963 50285 27542 87758 56538 24103 108984 THYMIDINE 13322 22162 12180 19219 21396 39823 13967 17403 28986 39675 32829 20969 25301 29809 17585 51901 14226 12858 13335 37797 15995 16212 45736 41153 17454 25750 45750 13432 44427 16666 54717 29531 49231 16952 35231 46705 42701 39525 26117 44653 22150 21312 27517 63236 22029 36176 13188 22028 27559 22047 33082 100972 59622 83839 33146 80196 14497 48904 51553 13497 29383 28335 16195 30218 25958 22447 17215 30624 59759 20493 30324 45549 33263 21123 41962 36964 34081 40600 45228 24389 28179 25678 24435 13478 48976 115782 31728 44439 47176 35911 THYMIDINE-MONOPHOSPHATE 6893 7386 4933 12026 14107 8754 7039 4639 11825 7135 11542 8021 6816 THYMIDINE-MONOPHOSPHATE +10 8533 15961 7791 THYMIDINE-MONOPHOSPHATE +2 7072 12032 7129 6031 8305 10683 7407 42065 7167 7980 93368 6608 12109 16922 THYMIDINE-MONOPHOSPHATE +3 80737 34140 81259 17474 13336 61343 29491 42257 16672 19330 74239 25437 106279 20964 15028 18963 65563 23142 52138 30903 13315 8711 19545 31178 20145 18500 23445 18118 14949 33105 29641 20662 28003 12556 19231 22805 72451 114996 21189 29320 26465 43102 57408 48213 50432 53819 46327 17324 18021 101046 136920 113863 80639 124562 89635 30008 40721 132115 64784 78669 18361 THYMIDINE-MONOPHOSPHATE +4 4338 9173 10516 5150 5644 10205 4630 7970 3503 4164 9938 5432 6256 6132 6748 10884 16286 5633 THYMIDINE-MONOPHOSPHATE +5 966517 313634 136081 51039 60307 114369 94362 400808 366778 3087326 98563 125987 35532 35055 214087 1379762 81825 32923 71300 181045 1062950 510428 260315 2946115 124081 242044 434292 717038 640768 557418 2012492 69611 184732 3742532 103601 36637 183339 161604 279286 129834 94073 201976 2335107 365170 182559 1457372 140825 161625 50957 3850019 1536550 128200 99894 150919 1741017 2278204 610244 151633 171286 291357 106270 187951 418092 372999 186779 4119839 167197 114856 23160 54383 318659 145447 46331 69147 223725 184868 1752117 486767 113437 104761 448612 249983 181588 10588037 319488 143133 347268 156046 97842 89702 THYMIDINE-MONOPHOSPHATE +6 16089 287425 15505 23390 48426 58616 153244 174541 373969 19820 107142 11858 51060 440640 45009 57919 108116 16923 4773 360159 24441 23528 28271 17809 68852 1161671 31278 24882 26176 62643 THYMIDINE-MONOPHOSPHATE +7 10523 11921 THYMIDINE-MONOPHOSPHATE +8 80126 7841 THYMIDINE-MONOPHOSPHATE +9 46292 232402 30861 120569 78885 81933 41819 31099 59840 25610 31213 54787 149861 54505 31167 183250 90966 85452 57771 25580 38329 34133 130701 62170 91711 94115 108630 64827 54561 39331 23574 37605 22511 53033 58453 20834 59354 58783 170824 220705 292252 156008 85470 83817 65238 134841 228323 46381 29619 27945 41120 48558 12887 62588 66415 92017 24950 30894 19324 26868 15807 TREHALOSE 1378513 1187371 1026836 3859519 718553 1119171 1020396 2851917 2064969 968897 1031300 2161281 1629302 916364 2729157 2711775 1084741 1884902 1326019 1188449 892115 1080652 1070098 916772 UDP 4498130 11136141 7836773 1444103 1309405 1279807 917263 2237149 2439854 3069176 1137743 1386930 873362 1257178 1928565 1778005 1137842 1193845 1627034 9458517 3558691 14645518 12252742 4403846 1591713 1904343 2307659 2087929 13635161 3367328 3539178 1256928 1162539 3657235 1529174 2197831 11379964 1950873 9799785 9620664 1842663 1813835 2798684 9045496 1291271 2290513 7781646 1445857 1577239 3828507 2476946 1548442 1662107 1481009 3164526 3793377 3808269 11388352 2531828 2326095 1698675 1730403 1989158 11636390 2275513 3778661 1728798 2013619 1360187 1449882 3083083 2132553 10056828 2353071 1932245 2473161 4216695 14887205 7867706 1472698 1940681 1471321 2011764 5958465 2288120 1448456 2457995 1902679 1659015 1306297 UDP-GLCNAC 122763895 64755660 43206135 46999545 38393695 15256654 5191686 48206632 52296264 58743263 26440992 27719708 3643335 5630546 12825495 12583502 6916327 8000267 49438746 34102688 54817362 89742746 85202219 105851368 34141082 34636547 20129699 42512130 64757997 72308775 21273144 8434288 10093278 23242045 10101612 14174929 79517799 57219314 48512420 38076507 19762591 53185002 55886734 43460356 34499796 49873929 20266421 29486648 10170854 23740237 19741153 9494255 10357995 11215162 85664777 93166552 97907325 71969762 63768468 73356643 32502955 21026789 16699289 56618172 38584801 69415469 11561018 11208710 7011638 10931045 15702183 14353341 61367061 73458815 63610819 48036738 95385193 106015174 38446722 34304266 45538568 35000726 25058868 78024991 16957654 10928194 18253552 13762941 9627873 5666304 UDP +5 593197 317615 221600 201738 189829 200549 380819 561170 591606 862575 277664 280565 116742 259985 435615 356755 270093 306866 217152 253517 440462 408219 398488 480546 308043 361654 485088 473659 522345 670051 579018 282046 323703 570413 288112 469985 343699 312631 211581 273091 238406 251514 857744 542080 455588 624697 353237 377104 240129 773325 546610 357200 391267 417566 480386 464370 494157 365732 411418 397985 489130 446841 557556 715345 528038 851619 422646 445355 280631 400512 679906 461971 321137 400390 338067 338815 411391 516161 377090 373737 426400 365838 440541 1483287 512773 299444 487319 354592 274904 288396 UMP 5521400 3031480 2182070 2011891 1539153 1787603 2077737 3225011 3796183 3894381 1899581 2422348 1687408 2114815 3215258 2540158 2056635 2044881 1720523 2559616 3723320 3428555 3057229 5401057 2291292 2782004 2732405 3744857 3567191 4231528 5556783 3005379 3084296 5564608 3441862 3007246 4396781 3051433 3026506 2632769 2456470 2734852 4341585 3751878 2739656 3589485 2410051 2489100 3121743 6368172 5822635 2848028 3098012 3116916 4920745 4034956 4340573 3123631 3325289 3062335 2563964 2477813 3192983 3790571 2938646 4521865 3332816 3467024 2673014 2802457 3865762 3372916 3284764 3770461 3077457 4190780 4736973 4963003 2730812 2714082 3464001 2741712 3103100 7336096 4508232 3154755 4772073 4019303 3106093 3115214 UMP +5 10743 9278 23021 11322 7995 10339 13452 23498 12819 7995 7142 7670 11290 12640 8698 13851 URACIL 739842 2243230 1898540 2175137 1021235 979129 2159557 847833 1040105 3149989 3897314 4322953 4190803 1125870 1443207 4984020 5921772 6238931 662614 1290196 1191444 1048931 1604806 1300130 7464072 6955884 6548510 5258951 4234917 5290524 4840785 6289476 URACIL 5-CARBOXYLATE 10623 8876 11834 14938 3599 17447 16420 11507 6476 4676 10442 10164 4137 8412 13046 7141 10663 6589 17676 9351 6641 9196 6347 10041 4260 11937 18049 11661 6724 7818 5745 10131 5118 10354 5372 7191 16555 8917 13374 8881 20023 18015 4975 11213 5446 1602978 19534 9642 5391 5971 7647 12412 16835 8116 6514 5577 14677 5187 8051 5619 9085 5403 6769 15182 5581 13447 15680 5126 8592 13468 URATE 165889 1164221 76865 216868 194012 134126 50881 591045 150769 435172 94470 115307 229371 11052 393821 49047 64547 23284 119281 319606 278260 194256 738621 175321 82457850 943769 10546311 47995 58300 56219 250250 8801 41648 116932 45431 274146 591940 186077 160493 192287 81631 314258 157122 85353 43828 123243 38719 139439 9679 9777 210277 22827 11745 105578 53552 86980 420637 44394 519352 683703 26168 790243 148566 59091 101117 182767 44165 34240 9997 9171 151990 30377 696714 149542 372320 661223 401282 215560 92482 72807 45473 185968 140901 33987 663929 31805 24477 12453 27750 URIDINE 363750555 417106201 513368259 267538296 339232588 365717548 253903959 346460148 484719205 356799498 341351641 398061005 318039584 381390441 399694758 340757029 365378665 368228113 396396979 411916104 510202634 514369126 405856950 378604765 403613466 497057523 479006550 791433018 507375827 650665680 482769799 325150108 403466429 426378808 389595078 498356507 424249450 421963952 387760847 431691385 396163044 359641024 587902914 491083731 449499684 389419285 397808125 438374193 361805470 404441716 363350117 452976084 433151095 439856715 995686950 417491629 621031495 478448069 407666708 554330480 417992514 421135164 465963046 553232680 502846482 483161490 483153469 489610440 460385516 407363134 641313204 515534314 449560321 501579860 443925475 412514611 456402780 629362324 457340454 451480270 629162075 431802856 466831438 521786276 518546316 419783339 500995936 438481891 439016108 523350009 URIDINE 5'-DIPHOSPHATE 19533833 13868087 7854281 7517350 8754246 7014498 9175229 19158135 18738328 29011286 8279424 9009111 3807961 10186734 16320638 15098472 11726610 11022908 10336152 9564982 17169795 18298231 15658619 29437875 10935656 9389538 9716747 12546973 17184758 19039113 24001943 12873947 13207148 38248784 12528889 14857485 13382828 12220021 9999586 9726359 9566204 11095965 16136414 9159872 9639741 10983576 8128898 9493548 12911946 36687073 20677040 11437069 14254525 13031050 20041692 18788870 20461605 11497367 13050840 11365209 10129781 9831573 9981084 14977295 11793530 19834703 16216181 18258468 11042058 12221838 22560751 16509638 12237012 14619363 9439303 12861074 16711163 18662891 9761547 9648037 10898699 9026474 8637294 52970049 21561374 13724971 18826287 13834684 10535999 9843320 URIDINE 5'-DIPHOSPHATE +1 1260161 453914 621435 290430 305036 243336 292086 1144047 1256993 1271603 443200 331353 248963 610750 1365540 1123439 457186 414174 399229 377944 476203 1028115 1065051 1664016 746486 542989 147784 518129 873417 1395107 1743117 642637 541187 2079884 495316 1046766 920404 765157 463828 339961 305848 519217 1321768 367407 490793 398863 284697 401202 794566 1853326 1376112 761976 1067309 550149 1052082 833326 1284222 844324 567648 261198 225904 234053 350414 420518 824566 418890 442068 1230531 852600 683184 1570865 1126306 418231 568676 209402 282870 493992 1214477 277110 571092 339380 611803 218115 2667323 1276807 792251 1520804 733034 575640 848621 URIDINE 5'-DIPHOSPHATE +2 65267 34815 39762 10623 52278 25176 79925 273809 65729 379810 64010 30345 12019 142847 141175 163692 135772 162204 46287 51826 73109 115855 50702 117331 48089 59311 72220 107951 62417 109647 211763 194856 45129 565938 257284 202988 58100 46628 41872 35668 34217 83574 198403 23891 40547 24452 66124 34051 122007 272303 74263 96807 199740 141707 178818 125064 55572 76044 24707 76431 19720 35373 32467 110960 20576 124722 189898 320556 232741 167609 390446 168259 52566 53482 35762 31828 68549 167354 35113 37635 56975 14755 77073 655730 173145 175521 170194 198017 193893 161331 URIDINE 5'-DIPHOSPHATE +3 8688 14845 6495 6295 9552 6888 13048 7230 10770 26518 7277 8039 4853 7972 10282 8360 7820 10708 7427 7864 6310 9109 5912 7217 11592 4258 URIDINE 5'-DIPHOSPHATE +4 10186 6301 8650 6926 8393 6439 8246 6833 13991 6656 10201 9474 8205 13873 10643 7285 10597 10094 7943 9546 7669 12495 7678 10082 URIDINE 5'-DIPHOSPHATE +5 565579 311776 208404 78140 64996 168267 280630 225218 548300 814495 263072 101726 86434 259588 362077 350550 147072 182650 142259 205579 279667 363857 215486 225907 178687 187108 275781 207435 299367 384255 477899 160155 266052 382987 141297 401213 200637 312646 189629 146001 141344 191946 788443 406365 247965 598161 153741 187860 135697 349627 286680 192047 310158 324810 227407 387097 344828 340185 178697 173971 480360 245096 526886 648210 379375 831686 193307 193449 198606 320847 649774 346494 154091 293622 186607 246975 240937 515998 364008 325362 417205 316938 409292 736088 467900 240670 296845 286727 101905 188092 URIDINE 5'-DIPHOSPHATE +6 9178 6326 6028 5717 8547 21367 77830 35640 208703 36832 29822 11878 42279 189878 144682 115191 71817 7096 5380 41369 11167 13293 22795 36393 28172 83045 81132 133975 355655 75811 138994 395209 195826 217446 21328 9486 8477 8349 7811 7656 39600 50387 29339 60722 52784 33729 47679 402282 206313 94431 140289 150043 11050 10704 14885 12744 9714 10037 56107 27709 49448 58795 53681 154295 238677 222164 89887 148150 313202 204512 5919 9003 10929 11431 11357 17176 16611 20054 31849 52765 475043 153859 118853 216336 156286 111013 65775 URIDINE 5'-DIPHOSPHATE +7 6215 29952 12146 30941 5669 15869 35591 179110 44190 78997 136195 6290 6390 5326 9879 14618 280087 179425 70779 454009 53917 162136 39231 8382 15018 19202 9553 6796 92688 389398 204935 144433 137899 152055 14426 21053 15133 14085 9619 14895 162795 288142 157481 129662 161310 270844 10945 7517 7307 73530 260528 78469 252772 188542 92380 120392 URIDINE 5'-DIPHOSPHATE +8 5993 20582 8895 6557 16255 7669 7574 41676 23588 85216 27191 54137 35269 6583 8369 9370 5844 6964 27730 123970 45779 22178 49810 85862 5432 56614 155868 23597 31436 101124 61781 5551 15717 30900 27332 72665 60540 62783 17823 URIDINE 5'-DIPHOSPHATE +9 6699 9167 URIDINE DIPHOSPHATE GLUCOSE 49934515 30970771 21263442 24066883 21168410 18709563 19416669 32277561 35124164 38760511 19767899 23250511 12769570 16653374 21804190 22947952 13947963 14315352 22178408 24280258 36983819 32851281 32291812 41195811 21744397 23812277 31237570 29159552 34448136 35651316 26548180 13602100 13946751 27040187 13571551 16059388 31769091 24593621 22849771 23927869 22262817 22826379 30835195 26137551 20889742 29733695 20928042 23246151 14248998 28635841 24519074 13121868 15425779 14872929 38695209 44568552 43824305 30864270 25964192 29095987 25926252 25562652 30911937 36693892 26040494 42824316 17785530 17186776 14006176 15066724 20569245 17471211 30662626 34522824 28119588 32210898 48571693 39889878 25113271 22729621 27554868 23568860 25730755 63989991 19681154 14589886 20580703 17125761 13531671 13313001 URIDINE DIPHOSPHATE GLUCURONIC ACID 15530097 7304639 3928587 4400684 2812584 1959530 1120363 5774697 5387420 7136235 2540844 3338014 294331 555485 2853259 3039145 1320721 1583813 4927408 2365568 10115989 9539728 8509492 12731326 3370431 3644425 3811076 2880617 6384628 6338447 4363101 1466038 1104819 5284269 1135067 2468947 7053978 5659410 5465243 5746331 4961307 5318741 5872169 4357031 2516065 5757836 2199290 2586162 847958 5081313 3453765 1771938 1985837 916565 11364511 14826649 14482624 8236658 10048035 6215537 4400307 4525306 5318695 7964456 5286863 9302936 2797477 2569509 1332529 1268907 4444168 3085475 6289726 6911064 6656509 6148526 14975223 11411733 3425110 3164511 3882652 3198696 2146840 17723197 2909833 1884481 3161554 2306992 836946 839267 URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE 122346395 64630204 40606697 46294103 34730979 15264251 112656 47923485 52189260 58673200 26441050 16762894 2096612 969445 12771057 12586186 6557446 7617017 33230149 21682455 10192527 88077670 85013773 105645317 33954162 19375702 17913497 21644420 64631777 72181656 21196101 7971774 9849246 22367071 8125667 14133344 79261712 57062777 37022838 31357845 17338033 51067084 55844163 43389911 34068983 47818726 20263656 24968599 9755990 23683412 19741503 9411734 9817934 10578185 72330423 82095713 97659525 71832623 63657225 72767071 31290591 9085964 16681479 56338852 38494722 69334163 11439029 11123249 5399049 10612945 15700452 14330461 61186146 69230925 60741325 29748546 83705638 105760131 38378124 34309283 45168501 34954068 19408750 17781481 16937977 10853523 18092082 13603743 8978096 1725038 URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE 122346395 64630204 40606697 46294103 34730979 15264251 112656 47923485 52189260 58673200 26441050 16762894 2096612 969445 12771057 12586186 6557446 7617017 33230149 21682455 10192527 88077670 85013773 105645317 33954162 19375702 17913497 21644420 64631777 72181656 21196101 7971774 9849246 22367071 8125667 14133344 79261712 57062777 37022838 31357845 17338033 51067084 55844163 43389911 34068983 47818726 20263656 24968599 9755990 23683412 19741503 9411734 9817934 10578185 72330423 82095713 97659525 71832623 63657225 72767071 31290591 9085964 16681479 56338852 38494722 69334163 11439029 11123249 5399049 10612945 15700452 14330461 61186146 69230925 60741325 29748546 83705638 105760131 38378124 34309283 45168501 34954068 19408750 17781481 16937977 10853523 18092082 13603743 8978096 1725038 URIDINE DIPHOSPHATEGALACTOSE 49934515 30970771 21263442 24066883 21168410 18709563 19416669 32277561 35124164 38760511 19767899 23250511 12769570 16653374 21804190 22947952 13947963 14315352 22178408 24280258 36983819 32851281 32291812 41195811 21744397 23812277 31237570 29159552 34448136 35651316 26548180 13602100 13946751 27040187 13571551 16059388 31769091 24593621 22849771 23927869 22262817 22826379 30835195 26137551 20889742 29733695 20928042 23246151 14248998 28635841 24519074 13121868 15425779 14872929 38695209 44568552 43824305 30864270 25964192 29095987 25926252 25562652 30911937 36693892 26040494 42824316 17785530 17186776 14006176 15066724 20569245 17471211 30662626 34522824 28119588 32210898 48571693 39889878 25113271 22729621 27554868 23568860 25730755 63989991 19681154 14589886 20580703 17125761 13531671 13313001 URIDINE MONOPHOSPHATE 5356052 2981862 2093913 1901506 1506853 1729955 1958185 3158506 3578915 3894578 1824712 2307307 1626851 2045189 2952851 2505826 1925341 2044628 1644542 2549080 3684256 3359175 2986962 5267470 2274344 2554447 2585172 3650819 3445332 4015081 5156821 2829942 2959814 5295964 3337841 2916940 4306716 2997639 2873322 2407870 2302540 2684168 4340986 3721306 2715796 3516009 2381605 2428920 2928803 6399806 5811120 2743995 3018601 2921877 4762869 3829047 4292619 3088386 3152803 2775519 2445054 2375103 3042797 3778486 2851122 4521740 3213480 3318413 2616783 2714318 3827718 3346263 3174463 3405673 2984171 3954077 4548580 4802881 2731842 2695631 3406008 2562604 3017250 7431903 4386816 3142480 4577137 3771882 2929918 2866880 URIDINE MONOPHOSPHATE +1 101481 194146 168057 141132 44938 76294 78544 80116 334482 227098 65835 163286 28680 68365 107059 183888 109926 83305 29622 147509 227036 241536 217925 392290 162444 97629 108712 169812 278579 332027 184143 173348 57386 255971 137224 147983 227882 253580 167749 184192 107281 130783 323728 308865 203156 73273 82315 186631 64470 555147 392513 155422 91037 90148 360288 364850 275972 210122 103740 181278 54098 177022 93550 242095 180229 138109 269311 223143 73863 84234 199630 196068 211234 152057 171304 167835 230910 299231 220199 64139 251397 128480 156422 215768 359049 94179 448037 125699 52724 109188 URIDINE MONOPHOSPHATE +2 14612 5437 5334 5746 10353 6207 4138 5000 5749 4996 5002 6861 8389 6889 3910 4643 5414 7703 23409 16106 32368 13125 10271 13268 7188 16825 9035 5720 4661 6660 11505 6706 12829 10691 5741 13863 5334 26068 32407 7858 4962 33250 27030 8184 6592 6665 4748 12099 6263 8858 15315 16113 5938 13725 8778 18273 9690 4991 4334 19322 6762 17859 5939 7153 14371 5313 8248 40486 31204 10312 29052 5493 17909 4786 URIDINE MONOPHOSPHATE +3 6548 7430 4033 4564 4535 URIDINE MONOPHOSPHATE +4 3922 5042 8814 URIDINE MONOPHOSPHATE +5 10928 7846 4343 26446 11362 32397 5542 6710 7685 4726 8693 19200 8116 13285 9161 9299 5367 6890 11322 19742 9119 10391 57218 67582 81934 47576 19059 25742 33651 50636 20375 8035 4184 9976 18449 48860 39417 23142 33075 7295 19739 31862 66850 20646 16102 38328 8102 16969 4882 5051 22885 30451 21050 32383 34939 57897 28482 32834 10244 16548 42177 20046 4396 12780 13142 32593 21145 17331 19290 22555 13664 32436 9940 6864 18806 URIDINE MONOPHOSPHATE +6 4770 4606 4913 5010 5705 5568 7049 35903 5465 11147 7567 13177 7524 5523 5879 4288 7032 6626 10350 7795 24975 6650 5342 9529 21082 10866 6414 11617 21502 17943 10121 6477 6914 19020 13997 7475 6123 URIDINE MONOPHOSPHATE +7 5026 8105 7627 5156 7653 672249 5942 43723 23728 25506 21512 20548 12272 12618 15891 20518 30386 20997 6056 6181 4079 9715 5310 45556 45058 14521 14752 12123 7310 9521 7076 11872 10888 10215 7293 URIDINE MONOPHOSPHATE +8 10560 6717 4464 6499 7927 16711 14762 4499 6433 5245 6873 13266 11351 18394 5060 6023 12553 6424 7382 4088 URIDINE MONOPHOSPHATE +9 7224 7798 16041 5375 UTP 19084 14580 14711 XANTHINE 445509 582402 422810 390807 446740 501984 381101 548866 807360 680352 414252 617721 2030957 2321742 2467096 3170858 1817096 2644139 585112 849814 893310 503188 607790 609851 1528999 918051 864733 1744004 615499 808272 4840336 2123660 3163099 5489155 2599070 4072049 783263 459229 453388 675322 552791 845037 1629626 1184343 1189265 1105584 567269 609171 4330151 6537164 7220678 6677575 4308820 4229769 1090784 775872 937325 471089 1025318 789886 789640 1568235 957305 1072841 952239 1752240 7099793 6470699 5825300 5693148 6304465 7405214 1760242 560741 608406 797805 404397 579843 792143 869521 1173238 683775 744555 2344333 5605189 5517188 5439577 4178315 5707402 5685970 XANTHOSINE-MONOPHOSPHATE 8538 XYLITOL 1824185 1419331 1190045 3685604 1315223 1020540 268202 557127 619675 1182900 414178 381085 2796251 1225994 2900670 3415617 195006 169261 1588482 1662482 2164557 2255929 1985943 3473853 593971 690551 943467 852877 723650 809240 4367268 301138 2249943 691531 222593 2259468 2048361 1715216 1676344 2029418 1619694 2015843 1124776 629642 595253 1031729 621240 673663 365016 807632 792232 334197 340616 428525 2838735 3528885 2424433 1994568 2078063 2202904 664814 761554 842260 874954 651382 1271446 547303 490641 3511138 412427 4156855 547572 1889339 2164588 1993647 2531800 3457319 2644574 597738 660048 858938 751710 805645 1919782 537270 413723 526685 478796 415471 371703 XYLULOSE-5-PHOSPHATE 337296 85936 91720 361090 30770 71913 942373 214427 59492 16753 123457 57972 118690 359673 273449 313670 130772 76584 303081 67033 138836 172246 195649 30036 76188 189434 18045 81302 124012 101034 235717 97420 229280 95153 118965 138653 173088 45071 53207 336194 100878 31304 73748 205570 41466 67991 342045 57731 20923 51393 228594 343799 123267 129677 24990 310310 124633 61281 194992 66577 64083 20435 153890 12264 24049 88676 42218 147211 44919 159656 444416 80746 114255 548161 63603 132968 178093 40658 17194 389144 68634 58467 160011 335672 87901 272486 95689 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet CAS_ID SMILES Formula C13_label HMDB PubChem_CID ChEBI KEGG RT m/z 2-DEOXY-D-GLUCOSE 2-Deoxy-glucose 7512-17-6 OC[C@@H](O)[C@@H](O)[C@H](O)CC=O C6H12O5 HMDB0062477 108223 15866 C00586 8.3 163.0612 2-DEOXYGLUCOSE 2-Deoxy-glucose OC[C@@H](O)[C@@H](O)[C@H](O)CC=O C6H12O5 HMDB0062477 108223 15866 C00586 5.6 163.0612 2-HYDROXY-4-(METHYLTHIO)BUTANOATE 2-Hydroxy-4-(methylthio)butanoic acid 4857-44-7 CSCCC(O)C(=O)O C5H10O3S HMDB0037115 11427 137228 3.2 149.02779 2-HYDROXYBUTYRATE 2-Hydroxybutyric acid 600-15-7 CCC(O)C(=O)O C4H8O3 HMDB0000008 11266 1148 C05984 4.1 103.04007 2-KETO-3-DEOXY-D-GLUCONIC ACID 2-Dehydro-3-deoxy-D-gluconic acid 17510-99-5 O=C(O)C(=O)C(O)(O)CO C6H10O6 HMDB0001353 194024 17028 C01216 7.5 177.04046 2-METHYLMALEATE Citraconic acid 498-23-7 C/C(=C/C(=O)O)/C(=O)O C5H6O4 HMDB0000634 643798 17626 C02226 6.3 129.01933 2-PHOSPHOGLYCERATE 2-Phosphoglyceric acid 2553-59-5 OCC(OP(O)(O)=O)C(O)=O C3H7O7P HMDB0000362 59 24344 11.9 184.98566 2-PHOSPHOGLYCERATE +1 2-Phosphoglyceric acid 2553-59-5 OCC(OP(O)(O)=O)C(O)=O +1 HMDB0000362 59 24344 11.9 185.98901 2-PHOSPHOGLYCERATE +2 2-Phosphoglyceric acid 2553-59-5 OCC(OP(O)(O)=O)C(O)=O +2 HMDB0000362 59 24344 11.9 186.99236 2-PHOSPHOGLYCERATE +3 2-Phosphoglyceric acid 2553-59-5 OCC(OP(O)(O)=O)C(O)=O +3 HMDB0000362 59 24344 11.9 187.99571 2,3-DIHYDROXYBENZOATE 2-Pyrocatechuic acid 303-38-8 OC(=O)C1=C(O)C(O)=CC=C1 C7H6O4 HMDB0000397 19 18026 C00196 4.3 153.01933 2,4-DIHYDROXYPTERIDINE Lumazine 487-21-8 O=C1NC(=O)C2=NC=CNC2=N1 C6H4N4O2 HMDB0254198 10250 16489 C03212 4.7 163.02615 2,5-DIHYDROXYBENZOATE Gentisic acid 490-79-9 OC(=O)C1=C(O)C=CC(O)=C1 C7H6O4 HMDB0000152 3469 17189 C00628 4.6 153.01933 2',4'-DIHYDROXYACETOPHENONE 2',4'-Dihydroxyacetophenone 89-84-9 CC(=O)C1=C(O)C=C(O)C=C1 C8H8O3 HMDB0029659 6990 18414 C03663 2.3 151.04007 2HG 2-Hydroxyglutaric acid O[C@H](CCC(O)=O)C(O)=O C5H8O5 HMDB0000606 439391 32796 C01087 10.55 147.0299 2HG +1 2-Hydroxyglutaric acid O[C@H](CCC(O)=O)C(O)=O C5DH7O5 +1 HMDB0000606 439391 32796 C01087 10.55 148.03617 2HG +2 2-Hydroxyglutaric acid O[C@H](CCC(O)=O)C(O)=O [13]C2C3H8O5 +2 HMDB0000606 439391 32796 C01087 10.55 149.03661 2HG +3 2-Hydroxyglutaric acid O[C@H](CCC(O)=O)C(O)=O [13]C3C2H8O5 +3 HMDB0000606 439391 32796 C01087 10.55 150.03996 2HG +4 2-Hydroxyglutaric acid O[C@H](CCC(O)=O)C(O)=O [13]C4CH8O5 +4 HMDB0000606 439391 32796 C01087 10.55 151.04332 2HG +5 2-Hydroxyglutaric acid O[C@H](CCC(O)=O)C(O)=O [13]C5H8O5 +5 HMDB0000606 439391 32796 C01087 10.55 152.04667 3-(2-HYDROXYPHENYL)PROPANOATE 3-(2-Hydroxyphenyl)propanoic acid 495-78-3 OC(=O)CCC1=CC=CC=C1O C9H10O3 HMDB0033752 873 16104 C01198 2.8 165.05572 3-(4-HYDROXYPHENYL)PYRUVATE 4-Hydroxyphenylpyruvic acid 156-39-8 OC(=O)C(=O)CC1=CC=C(O)C=C1 C9H8O4 HMDB0000707 979 15999 C01179 4.3 179.03498 3-ALPHA,11-BETA,17,21-TETRAHYDROXY- 5-BETA-PREGNAN-20-ONE Tetrahydrocortisol 19391 C[C@]12CC[C@H](CC1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)CO)O)C)O)O C21H34O5 HMDB0000949 44725717 28320 C05472 2.4 365.23335 3-HYDROXYBENZOATE 3-Hydroxybenzoic acid 36320 OC(=O)C1=CC(O)=CC=C1 C7H6O3 HMDB0002466 7420 30764 C00587 5.5 137.02442 3-HYDROXYBENZYL ALCOHOL 3-Hydroxybenzyl alcohol 620-24-6 OCC1=CC=CC(O)=C1 C7H8O2 HMDB0059712 102 17069 C03351 2.7 123.04515 3-HYDROXYBUTANOATE 3-Hydroxybutyric acid 300-85-6 C[C@H](CC(=O)O)O C4H8O3 HMDB0000011 92135 17066 C01089 2.9 103.04007 3-HYDROXYMETHYLGLUTARATE 3-Hydroxymethylglutaric acid 503-49-1 CC(CC(=O)O)(CC(=O)O)O C6H10O5 HMDB0000355 1662 16831 C03761 10 161.04555 3-METHOXY-4-HYDROXYMANDELATE Vanillylmandelic acid 20369 COC1=C(O)C=CC(=C1)C(O)C(O)=O C9H10O5 HMDB0133489 1245 20106 C05584 5.1 197.04555 3-METHYL-2-OXINDOLE 3-Methyloxindole -144465 CC1C(=O)NC2=CC=CC=C12 C9H9NO HMDB0304943 150923 17397 C02366 2.4 146.06114 3-METHYLGLUTACONATE 3E-Methylglutaconic acid 5746-90-7 C/C(=CC(=O)O)/CC(=O)O C6H8O4 HMDB0000522 1551553 37245 8.7 143.03498 3-NITRO-L-TYROSINE Nitrotyrosine 621-44-3 N[C@@H](CC1=CC=C(O)C(=C1)[N+]([O-])=O)C(O)=O C9H10N2O5 HMDB0001904 65124 44454 9.1 225.05169 3-PHOSPHOGLYCERATE 3-Phosphoglyceric acid -394151 OC(COP(O)(O)=O)C(O)=O C3H7O7P HMDB0000807 724 17050 C00597 11.8 184.98566 3-PHOSPHOGLYCERATE +1 3-Phosphoglyceric acid -394151 OC(COP(O)(O)=O)C(O)=O [C13]C2H7O7P +1 HMDB0000807 724 17050 C00597 11.8 185.98902 3-PHOSPHOGLYCERATE +2 3-Phosphoglyceric acid -394151 OC(COP(O)(O)=O)C(O)=O [C13]2CH7O7P +2 HMDB0000807 724 17050 C00597 11.8 186.99237 3-PHOSPHOGLYCERATE +3 3-Phosphoglyceric acid -394151 OC(COP(O)(O)=O)C(O)=O [C13]3H7O7P +3 HMDB0000807 724 17050 C00597 11.8 187.99573 3,4 DIHYDROXYMANDELATE 3,4-Dihydroxymandelic acid -410884 OC(C(O)=O)C1=CC=C(O)C(O)=C1 C8H8O5 HMDB0001866 85782 27637 C05580 9.5 183.0299 3,4-DIHYDROXYBENZOATE Protocatechuic acid 99-50-3 OC(=O)C1=CC(O)=C(O)C=C1 C7H6O4 HMDB0001856 72 36062 C00230 9.3 153.01933 3,4-DIHYDROXYPHENYLACETATE 3,4-Dihydroxybenzeneacetic acid 102-32-9 OC(=O)CC1=CC(O)=C(O)C=C1 C8H8O4 HMDB0001336 547 41941 C01161 6.6 167.03498 4-HYDROXYBENZALDEHYDE 4-Hydroxybenzaldehyde 123-08-0 OC1=CC=C(C=O)C=C1 C7H6O2 HMDB0011718 126 17597 C00633 2.6 121.0295 4-HYDROXYBENZOATE 4-Hydroxybenzoic acid 99-96-7 OC(=O)C1=CC=C(O)C=C1 C7H6O3 HMDB0000500 135 30763 C00156 6.4 137.02442 4-METHYLCATECHOL 4-Methylcatechol 452-86-8 CC1=CC(O)=C(O)C=C1 C7H8O2 HMDB0000873 9958 17254 C06730 5.3 123.04515 5-HYDROXYLYSINE 5-Hydroxylysine 1190-94-9 NC[C@H](O)CC[C@H](N)C(O)=O C6H14N2O3 HMDB0000450 3032849 18040 C16741 13.9 161.09317 6-PHOSPHOGLUCONATE 6-Phosphogluconic acid 921-62-0 O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O C6H13O10P HMDB0001316 91493 48928 C00345 12.9 275.01736 6-PHOSPHOGLUCONATE +1 6-Phosphogluconic acid 921-62-0 O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O [13]CC5H13O10P +1 HMDB0001316 91493 48928 C00345 12.9 276.02071 6-PHOSPHOGLUCONATE +2 6-Phosphogluconic acid 921-62-0 O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O [13]C2C4H13O10P +2 HMDB0001316 91493 48928 C00345 12.9 277.02407 6-PHOSPHOGLUCONATE +3 6-Phosphogluconic acid 921-62-0 O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O [13]C3C3H13O10P +3 HMDB0001316 91493 48928 C00345 14 278.02742 6-PHOSPHOGLUCONATE +5 6-Phosphogluconic acid 921-62-0 O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O [13]C5CH13O10P +5 HMDB0001316 91493 48928 C00345 14 280.03414 6-PHOSPHOGLUCONATE +6 6-Phosphogluconic acid 921-62-0 O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O [13]C6H13O10P +6 HMDB0001316 91493 48928 C00345 14.2 281.03749 ACETYL COA Acetyl-CoA CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O C23H38N7O17P3S HMDB0001206 444493 15351 C00024 8.5 810.13305 ACETYL COA +1 Acetyl-CoA CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O [C13]C22H38N7O17P3S +1 HMDB0001206 444493 15351 C00024 8.5 811.1364 ACETYL COA +2 Acetyl-CoA CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O [C13]2C21H38N7O17P3S +2 HMDB0001206 444493 15351 C00024 8.5 812.13976 ACETYL COA +3 Acetyl-CoA CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O [C13]3C20H38N7O17P3S +3 HMDB0001206 444493 15351 C00024 8.5 813.14311 ACETYL COA +4 Acetyl-CoA CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O [C13]4C19H38N7O17P3S +4 HMDB0001206 444493 15351 C00024 8.5 814.14647 ACETYL COA +5 Acetyl-CoA CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O [C13]5C18H38N7O17P3S +5 HMDB0001206 444493 15351 C00024 8.5 815.14982 ACETYL COA +6 Acetyl-CoA CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O [C13]6C17H38N7O17P3S +6 HMDB0001206 444493 15351 C00024 8.5 816.15318 ACETYL COA +7 Acetyl-CoA CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O [C13]7C16H38N7O17P3S +7 HMDB0001206 444493 15351 C00024 8.5 817.15653 ACETYL COA +8 Acetyl-CoA CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O [C13]8C15H38N7O17P3S +8 HMDB0001206 444493 15351 C00024 8.5 818.15989 ADP ADP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O C10H15N5O10P2 HMDB0001341 6022 16761 C00008 11 426.02214 ADP +1 ADP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]C9H15N5O10P2 +1 HMDB0001341 6022 16761 C00008 11.8 427.02549 ADP +2 ADP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]2C8H15N5O10P2 +2 HMDB0001341 6022 16761 C00008 11.8 428.02885 ADP +3 ADP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]3C7H15N5O10P2 +3 HMDB0001341 6022 16761 C00008 11.8 429.0322 ADP +4 ADP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]4C6H15N5O10P2 +4 HMDB0001341 6022 16761 C00008 11.8 430.03556 ADP +5 ADP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]5C5H15N5O10P2 +5 HMDB0001341 6022 16761 C00008 11.8 431.03891 ADP +6 ADP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]6C4H15N5O10P2 +6 HMDB0001341 6022 16761 C00008 11.8 432.04227 ADP +7 ADP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]7C3H15N5O10P2 +7 HMDB0001341 6022 16761 C00008 11.8 433.04562 ADP +8 ADP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]8C2H15N5O10P2 +8 HMDB0001341 6022 16761 C00008 11.8 434.04898 ADP-GLUCOSE ADP-glucose 2140-58-1 NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1 C16H25N5O15P2 HMDB0006557 16500 15751 C00498 10.6 588.07496 AKG 2-Oxoglutaric acid OC(=O)CCC(=O)C(O)=O C5H6O5 HMDB0000208 51 30915 C00026 10.6 145.01425 AKG +1 2-Oxoglutaric acid OC(=O)CCC(=O)C(O)=O [C13]C4H6O5 +1 HMDB0000208 51 30915 C00026 10.6 146.0176 AKG +2 2-Oxoglutaric acid OC(=O)CCC(=O)C(O)=O [C13]2C3H6O5 +2 HMDB0000208 51 30915 C00026 10.6 147.02096 AKG +3 2-Oxoglutaric acid OC(=O)CCC(=O)C(O)=O [C13]3C2H6O5 +3 HMDB0000208 51 30915 C00026 10.6 148.02431 AKG +4 2-Oxoglutaric acid OC(=O)CCC(=O)C(O)=O [C13]4CH6O5 +4 HMDB0000208 51 30915 C00026 10.6 149.02767 AKG +5 2-Oxoglutaric acid OC(=O)CCC(=O)C(O)=O [C13]5H6O5 +5 HMDB0000208 51 30915 C00026 10.6 150.03102 ALLANTOIN Allantoin 97-59-6 NC(=O)NC1NC(=O)NC1=O C4H6N4O3 HMDB0000462 204 15676 C01551 8.1 157.03671 ALLOSE Allose 2595-97-3 [H][C@@]1(CO)OC(O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O C6H12O6 HMDB0001151 12285879 37741 C01487 10.9 179.05611 ALPHA-D-GLUCOSE Glucose 492-62-6 OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O C6H12O6 HMDB0003345 79025 17925 C00267 10.9 179.05611 AMP AMP NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 C10H14N5O7P HMDB0000045 6083 16027 C00020 9.5 346.05581 AMP +1 AMP NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 [C13]C9H14N5O7P +1 HMDB0000045 6083 16027 C00020 10.6 347.05916 AMP +2 AMP NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 [C13]2C8H14N5O7P +2 HMDB0000045 6083 16027 C00020 10.3 348.06252 AMP +3 AMP NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 [C13]3C7H14N5O7P +3 HMDB0000045 6083 16027 C00020 10.3 349.06587 AMP +4 AMP NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 [C13]4C6H14N5O7P +4 HMDB0000045 6083 16027 C00020 10.6 350.06923 AMP +5 AMP NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 [C13]5C5H14N5O7P +5 HMDB0000045 6083 16027 C00020 10.3 351.07258 AMP +6 AMP NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 [C13]6C4H14N5O7P +6 HMDB0000045 6083 16027 C00020 10.35 352.07594 AMP +7 AMP NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 [C13]7C3H14N5O7P +7 HMDB0000045 6083 16027 C00020 10.35 353.07929 AMP +8 AMP NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 [C13]8C2H14N5O7P +8 HMDB0000045 6083 16027 C00020 8.5 354.08265 ANILINE-2-SULFONATE 2-Aminobenzenesulfonic acid 88-21-1 NC1=CC=CC=C1S(O)(=O)=O C6H7NO3S HMDB0304940 6926 1015 C06333 4.3 172.00739 ARABITOL Arabitol 7643-75-6 OC[C@H](O)C(O)[C@@H](O)CO C5H12O5 HMDB0001851 439255 18403 C00532 7.2 151.0612 ATP ATP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O C10H16N5O13P3 HMDB0000538 5957 15422 C00002 12 505.98847 ATP +1 ATP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]C9H16N5O13P3 +1 HMDB0000538 5957 15422 C00002 13.2 506.99182 ATP +2 ATP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]2C8H16N5O13P3 +2 HMDB0000538 5957 15422 C00002 13.2 507.99518 ATP +3 ATP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]3C7H16N5O13P3 +3 HMDB0000538 5957 15422 C00002 13 508.99853 ATP +5 ATP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]5C5H16N5O13P3 +5 HMDB0000538 5957 15422 C00002 13 511.00524 ATP +6 ATP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]6C4H16N5O13P3 +6 HMDB0000538 5957 15422 C00002 13 512.0086 ATP +7 ATP NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]7C3H16N5O13P3 +7 HMDB0000538 5957 15422 C00002 13 513.01195 AZELATE Azelaic acid 123-99-9 C(CCCC(=O)O)CCCC(=O)O C9H16O4 HMDB0000784 2266 48131 C08261 7.3 187.09758 BENZOATE Benzoic acid 532-32-1 OC(=O)C1=CC=CC=C1 C7H6O2 HMDB0001870 243 30746 C00539 3.3 121.0295 BETA-GLYCEROPHOSPHATE sn-Glycero-2-phosphate 17181-54-3 C(C(CO)OP(=O)(O)O)O C3H9O6P HMDB0002520 2526 17270 C02979 10.1 171.0064 CELLOBIOSE Cellobiose 528-50-7 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O C12H22O11 HMDB0000055 10712 36217 C06422 9.6 341.10893 CIS-ACONITATE cis-Aconitic acid OC(=O)CC(=CC(O)=O)C(O)=O C6H6O6 HMDB0000072 643757 32805 C00417 12 173.00916 CIS-ACONITATE +1 cis-Aconitic acid OC(=O)CC(=CC(O)=O)C(O)=O [C13]C5H6O6 +1 HMDB0000072 643757 32805 C00417 12.4 174.01252 CIS-ACONITATE +2 cis-Aconitic acid OC(=O)CC(=CC(O)=O)C(O)=O [C13]2C4H6O6 +2 HMDB0000072 643757 32805 C00417 12 175.01587 CIS-ACONITATE +3 cis-Aconitic acid OC(=O)CC(=CC(O)=O)C(O)=O [C13]3C3H6O6 +3 HMDB0000072 643757 32805 C00417 12 176.01923 CIS-ACONITATE +4 cis-Aconitic acid OC(=O)CC(=CC(O)=O)C(O)=O [C13]4C2H6O6 +4 HMDB0000072 643757 32805 C00417 12 177.02258 CIS-ACONITATE +5 cis-Aconitic acid OC(=O)CC(=CC(O)=O)C(O)=O [C13]5CH6O6 +5 HMDB0000072 643757 32805 C00417 12 178.02594 CIS-ACONITATE +6 cis-Aconitic acid OC(=O)CC(=CC(O)=O)C(O)=O [C13]6H6O6 +6 HMDB0000072 643757 32805 C00417 12 179.02929 CITRAMALATE Citramalic acid 597-44-4 CC(CC(=O)O)(C(=O)O)O C5H8O5 HMDB0000426 1081 15584 C00815 10.2 147.0299 CITRATE Citric acid 77-92-9 OC(=O)CC(O)(CC(O)=O)C(O)=O C6H8O7 HMDB0000094 311 30769 C00158 12.6 191.01973 CITRATE +1 Citric acid 77-92-9 OC(=O)CC(O)(CC(O)=O)C(O)=O [C13]C5H8O7 +1 HMDB0000094 311 30769 C00158 12.6 192.02308 CITRATE +2 Citric acid 77-92-9 OC(=O)CC(O)(CC(O)=O)C(O)=O [C13]2C4H8O7 +2 HMDB0000094 311 30769 C00158 12.6 193.02644 CITRATE +3 Citric acid 77-92-9 OC(=O)CC(O)(CC(O)=O)C(O)=O [C13]3C3H8O7 +3 HMDB0000094 311 30769 C00158 12.6 194.02979 CITRATE +4 Citric acid 77-92-9 OC(=O)CC(O)(CC(O)=O)C(O)=O [C13]4C2H8O7 +4 HMDB0000094 311 30769 C00158 12.6 195.03315 CITRATE +5 Citric acid 77-92-9 OC(=O)CC(O)(CC(O)=O)C(O)=O [C13]5C1H8O7 +5 HMDB0000094 311 30769 C00158 12.6 196.0365 CITRATE +6 Citric acid 77-92-9 OC(=O)CC(O)(CC(O)=O)C(O)=O [C13]6H8O7 +6 HMDB0000094 311 30769 C00158 12.6 197.03985 COENZYME A Coenzyme A 85-61-0 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS C21H36N7O16P3S HMDB0001423 87642 15346 C00010 9.4 766.10793 CYCLIC GMP 3',5' cyclic GMP 7665-99-8 NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1 C10H12N5O7P HMDB0001314 24316 16356 C00942 8.9 344.04016 CYS-GLY Cys-Gly 19246-18-5 N[C@@H](CS)C(=O)NCC(O)=O C5H10N2O3S HMDB0000078 439498 4047 C01419 10.2 177.03394 CYSTEATE Cysteic acid 498-40-8 NC(CS(O)(=O)=O)C(O)=O C3H7NO5S HMDB0002757 25701 21260 C00506 10.7 167.99722 CYSTEINE Cysteine 52-90-4 N[C@@H](CS)C(O)=O C3H7NO2S HMDB0000574 5862 17561 C00097 10.9 120.01247 CYSTEINE +1 Cysteine 52-90-4 N[C@@H](CS)C(O)=O +1 HMDB0000574 5862 17561 C00097 10.9 121.01582 CYSTEINE +2 Cysteine 52-90-4 N[C@@H](CS)C(O)=O +2 HMDB0000574 5862 17561 C00097 10.9 122.01917 CYSTEINE +3 Cysteine 52-90-4 N[C@@H](CS)C(O)=O +3 HMDB0000574 5862 17561 C00097 10.9 123.02252 CYSTINE Cystine 56-89-3 N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O C6H12N2O4S2 HMDB0000192 67678 16283 C00491 10.9 239.01657 CYTIDINE DIPHOSPHATE CDP 63-38-7 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O C9H15N3O11P2 HMDB0001546 6132 17239 C00112 12.4 402.0109 CYTIDINE DIPHOSPHATE +1 CDP 63-38-7 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O +1 HMDB0001546 6132 17239 C00112 12.4 403.01425 CYTIDINE DIPHOSPHATE +2 CDP 63-38-7 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O +2 HMDB0001546 6132 17239 C00112 12.4 404.0176 CYTIDINE DIPHOSPHATE +3 CDP 63-38-7 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O +3 HMDB0001546 6132 17239 C00112 12.4 405.02095 CYTIDINE DIPHOSPHATE +4 CDP 63-38-7 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O +4 HMDB0001546 6132 17239 C00112 12.4 406.0243 CYTIDINE DIPHOSPHATE +5 CDP 63-38-7 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O +5 HMDB0001546 6132 17239 C00112 12.4 407.02765 CYTIDINE DIPHOSPHATE +6 CDP 63-38-7 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O +6 HMDB0001546 6132 17239 C00112 12.4 408.031 CYTIDINE DIPHOSPHATE +7 CDP 63-38-7 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O +7 HMDB0001546 6132 17239 C00112 12.4 409.03435 CYTIDINE DIPHOSPHATE +8 CDP 63-38-7 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O +8 HMDB0001546 6132 17239 C00112 12.4 410.0377 CYTIDINE MONOPHOSPHATE CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O C9H14N3O8P HMDB0000095 6131 17361 C00055 11.2 322.04457 CYTIDINE MONOPHOSPHATE +1 CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O +1 HMDB0000095 6131 17361 C00055 11.2 323.04792 CYTIDINE MONOPHOSPHATE +2 CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O +2 HMDB0000095 6131 17361 C00055 11.2 324.05127 CYTIDINE MONOPHOSPHATE +3 CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O +3 HMDB0000095 6131 17361 C00055 11.2 325.05462 CYTIDINE MONOPHOSPHATE +4 CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O +4 HMDB0000095 6131 17361 C00055 11.2 326.05797 CYTIDINE MONOPHOSPHATE +5 CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O +5 HMDB0000095 6131 17361 C00055 11.2 327.06132 CYTIDINE MONOPHOSPHATE +6 CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O +6 HMDB0000095 6131 17361 C00055 11.2 328.06467 CYTIDINE MONOPHOSPHATE +7 CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O +7 HMDB0000095 6131 17361 C00055 11.2 329.06802 CYTIDINE MONOPHOSPHATE +8 CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O +8 HMDB0000095 6131 17361 C00055 11.2 330.07137 CYTIDINE MONOPHOSPHATE +9 CMP 63-37-6 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O +9 HMDB0000095 6131 17361 C00055 11.2 331.07472 D-GLUCURONOLACTONE Glucuronolactone 32449-92-6 O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O C6H8O6 HMDB0006355 92283 18268 C02670 7.9 175.02481 D-PINITOL Pinitol 10284-63-6 CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O C7H14O6 HMDB0034219 164619 28762 C03844 7.4 193.07176 D-RIBOSE 5-PHOSPHATE Ribose 5-phosphate 3615-55-2 C(C(C(C(C=O)O)O)O)OP(=O)(O)O C5H11O8P HMDB0001548 77982 17797 C00117 11.2 229.01188 D-SEDOHEPTULOSE Sedoheptulose 3019-74-7 C(C(C(C(C(C(=O)CO)O)O)O)O)O C7H14O7 HMDB0003219 5459879 16802 C02076 8.2 209.06668 DEHYDROASCORBATE L-Dehydroascorbic acid 490-83-5 C([C@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O C6H6O6 HMDB0001264 440667 27956 C05422 5.9 173.00916 DEOXYURIDINE Deoxyuridine 951-78-0 OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O C9H12N2O5 HMDB0000012 13712 16450 C00526 3.7 227.06734 DEOXYURIDINE TRIPHOSPHATE dUTP 1173-82-6 O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O C9H15N2O14P3 HMDB0001191 65070 17625 C00460 12.2 466.96634 DEOXYURIDINE-MONOPHOSPHATE dUMP 964-26-1 O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O C9H13N2O8P HMDB0001409 65063 17622 C00365 9.6 307.03368 DETHIOBIOTIN Dethiobiotin 533-48-2 C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O C10H18N2O3 HMDB0003581 445027 42280 C01909 3.7 213.12447 DGDP dGDP 582078 NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1 C10H15N5O10P2 HMDB0000960 439220 28862 C00361 12.3 426.02214 DIHYDROOROTATE 4,5-Dihydroorotic acid 5988-19-2 OC(=O)[C@@H]1CC(=O)NC(=O)N1 C5H6N2O4 HMDB0003349 439216 17025 C00337 7 157.02548 DIHYDROOROTATE +1 4,5-Dihydroorotic acid 5988-19-2 OC(=O)[C@@H]1CC(=O)NC(=O)N1 +1 HMDB0003349 439216 17025 C00337 7 158.02883 DIHYDROOROTATE +3 4,5-Dihydroorotic acid 5988-19-2 OC(=O)[C@@H]1CC(=O)NC(=O)N1 +3 HMDB0003349 439216 17025 C00337 7 160.03553 DIHYDROOROTATE +4 4,5-Dihydroorotic acid 5988-19-2 OC(=O)[C@@H]1CC(=O)NC(=O)N1 +4 HMDB0003349 439216 17025 C00337 7 161.03888 DIHYDROOROTATE +5 4,5-Dihydroorotic acid 5988-19-2 OC(=O)[C@@H]1CC(=O)NC(=O)N1 +5 HMDB0003349 439216 17025 C00337 7 162.04223 DIHYDROURACIL Dihydrouracil -509690 O=C1CCNC(=O)N1 C4H6N2O2 HMDB0000076 649 15901 C00429 3.4 113.03565 DIHYDROXYACETONE PHOSPHATE (DHAP) Dihydroxyacetone phosphate OCC(=O)COP(O)(O)=O C3H7O6P HMDB0001473 668 16108 C00111 11.2 168.99075 DIHYDROXYACETONE PHOSPHATE (DHAP) +1 Dihydroxyacetone phosphate OCC(=O)COP(O)(O)=O [C13]C2H7O6P +1 HMDB0001473 668 16108 C00111 10.6 169.9941 DIHYDROXYACETONE PHOSPHATE (DHAP) +2 Dihydroxyacetone phosphate OCC(=O)COP(O)(O)=O [C13]2CH7O6P +2 HMDB0001473 668 16108 C00111 10.6 170.99746 DIHYDROXYACETONE PHOSPHATE (DHAP) +3 Dihydroxyacetone phosphate OCC(=O)COP(O)(O)=O [C13]3H7O6P +3 HMDB0001473 668 16108 C00111 10.6 172.00081 DTDP-D-GLUCOSE dTDP-glucose 2196-62-5 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O C16H26N2O16P2 HMDB0001328 443210 35248 C00842 10 563.06848 ERYTHRITOL Erythritol 149-32-6 OC[C@H](O)[C@H](O)CO C4H10O4 HMDB0002994 222285 17113 C00503 6.1 121.05063 ETHYLMALONATE Ethylmalonic acid 601-75-2 CCC(C(=O)O)C(=O)O C5H8O4 HMDB0000622 11756 741548 8.6 131.03498 FERULATE trans-Ferulic acid 1135-24-6 COC1=C(O)C=CC(C=CC(O)=O)=C1 C10H10O4 HMDB0000954 445858 17620 C01494 3.8 193.05063 FRUCTOSE Fructose [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CO C6H12O6 HMDB0062538 5984 48095 C10906 7.85 179.05611 FRUCTOSE 1,6-BISPHOSPHATE Fructose 1,6-bisphosphate O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O C6H14O12P2 HMDB0001058 10267 28013 C05378 10.65 338.98877 FRUCTOSE 1,6-BISPHOSPHATE +1 Fructose 1,6-bisphosphate O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O [C13]C5H14O12P2 +1 HMDB0001058 10267 28013 C05378 10.85 339.99213 FRUCTOSE 1,6-BISPHOSPHATE +2 Fructose 1,6-bisphosphate O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O +2 HMDB0001058 10267 28013 C05378 10.6 340.99547 FRUCTOSE 1,6-BISPHOSPHATE +6 Fructose 1,6-bisphosphate O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O [C13]6H14O12P2 +6 HMDB0001058 10267 28013 C05378 10.85 345.0089 FRUCTOSE 6-PHOSPHATE Fructose 6-phosphate 643-13-0 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O C6H13O9P HMDB0000124 439160 15946 C00085 12 259.02244 FRUCTOSE 6-PHOSPHATE +1 Fructose 6-phosphate 643-13-0 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O [C13]C5H13O9P +1 HMDB0000124 439160 15946 C00085 11.8 260.0258 FRUCTOSE 6-PHOSPHATE +2 Fructose 6-phosphate 643-13-0 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O [C13]2C4H13O9P +2 HMDB0000124 439160 15946 C00085 11.4 261.02915 FRUCTOSE 6-PHOSPHATE +3 Fructose 6-phosphate 643-13-0 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O +3 HMDB0000124 439160 15946 C00085 11.8 262.03249 FRUCTOSE 6-PHOSPHATE +4 Fructose 6-phosphate 643-13-0 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O +4 HMDB0000124 439160 15946 C00085 11.4 263.03584 FRUCTOSE 6-PHOSPHATE +5 Fructose 6-phosphate 643-13-0 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O +5 HMDB0000124 439160 15946 C00085 11.8 264.03919 FRUCTOSE 6-PHOSPHATE +6 Fructose 6-phosphate 643-13-0 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O [C13]6H13O9P +6 HMDB0000124 439160 15946 C00085 11.8 265.04258 FUMARATE Fumaric acid 110-17-8 OC(=O)C=CC(O)=O C4H4O4 HMDB0000134 444972 18012 C00122 11 115.00368 FUMARATE +1 Fumaric acid 110-17-8 OC(=O)C=CC(O)=O [13]CC3H4O4 +1 HMDB0000134 444972 18012 C00122 11 116.00704 FUMARATE +2 Fumaric acid 110-17-8 OC(=O)C=CC(O)=O [C13]2C2H4O4 +2 HMDB0000134 444972 18012 C00122 11 117.01039 FUMARATE +3 Fumaric acid 110-17-8 OC(=O)C=CC(O)=O [13C]3CH4O4 +3 HMDB0000134 444972 18012 C00122 11 118.01375 FUMARATE +4 Fumaric acid 110-17-8 OC(=O)C=CC(O)=O [13C]4H4O4 +4 HMDB0000134 444972 18012 C00122 11 119.0171 GALACTARATE Galactaric acid 526-99-8 O=C(O)(O)(O)(O)(O)C(=O)O C6H10O8 HMDB0000639 3037582 30852 C00879 12 209.03029 GALACTITOL Galactitol 608-66-2 OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO C6H14O6 HMDB0000107 11850 16813 C01697 8.4 181.07176 GALACTOSE Galactose 59-23-4 OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O C6H12O6 HMDB0000143 439357 28061 C00984 10.9 179.05611 GALACTOSE 1-PHOSPHATE Galactose 1-phosphate 2255-14-3 OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O C6H13O9P HMDB0000645 123912 17973 C00446 11.4 259.02244 GALACTURONATE Galacturonic acid 685-73-4 C1(C(C(OC(C1O)O)C(=O)O)O)O' C6H10O7 HMDB0003363 445929 17309 C00470 11 193.03538 GDP GDP NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O C10H15N5O11P2 HMDB0001201 8977 17552 C00035 11.2 442.01705 GDP +5 GDP NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O [C13]5C5H15N5O11P2 +5 HMDB0001201 8977 17552 C00035 11.2 447.03383 GERANYL-PP Geranyl diphosphate 763-10-0 CC(C)=CCCC(C)=CCO[P@](O)(=O)OP(O)(O)=O C10H20O7P2 HMDB0001285 445995 17211 C00341 5.9 313.06115 GLUCONATE Gluconic acid 526-95-4 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O C6H12O7 HMDB0000625 10690 33198 C00257 9.4 195.05103 GLUCOSAMINE 6-SULFATE Glucosamine 6-sulfate 91674-26-9 N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O C6H13NO8S HMDB0000592 72361 133343 C04132 11.1 258.02891 GLUCOSE Glucose OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O C6H12O6 HMDB0000122 5793 4167 C00221 8.8 179.05611 GLUCOSE +1 Glucose OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O [C13]C5H12O6 +1 HMDB0000122 5793 4167 C00221 9 180.05947 GLUCOSE +2 Glucose OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O [C13]2C4H12O6 +2 HMDB0000122 5793 4167 C00221 9 181.06282 GLUCOSE +3 Glucose OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O [C13]3C3H12O6 +3 HMDB0000122 5793 4167 C00221 9 182.06618 GLUCOSE +4 Glucose OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O [C13]4C2H12O6 +4 HMDB0000122 5793 4167 C00221 9 183.06953 GLUCOSE +5 Glucose OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O [C13]5C1H12O6 +5 HMDB0000122 5793 4167 C00221 9 184.07289 GLUCOSE +6 Glucose OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O [C13]6H12O6 +6 HMDB0000122 5793 4167 C00221 9 185.07624 GLUCOSE 1-PHOSPHATE Glucose 1-phosphate 59-56-3 OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O C6H13O9P HMDB0001586 65533 29042 C00103 11.3 259.02244 GLUCOSE 6-PHOSPHATE Glucose 6-phosphate 56-73-5 OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O C6H13O9P HMDB0001401 5958 4170 C00092 12.1 259.02244 GLUCOSE 6-PHOSPHATE +1 Glucose 6-phosphate 56-73-5 OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O [C13]C5H13O9P +1 HMDB0001401 5958 4170 C00092 12.2 260.0258 GLUCOSE 6-PHOSPHATE +2 Glucose 6-phosphate 56-73-5 OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O [C13]2C4H13O9P +2 HMDB0001401 5958 4170 C00092 12.2 261.02915 GLUCOSE 6-PHOSPHATE +3 Glucose 6-phosphate 56-73-5 OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O [C13]3C3H13O9P +3 HMDB0001401 5958 4170 C00092 12.2 262.03251 GLUCOSE 6-PHOSPHATE +4 Glucose 6-phosphate 56-73-5 OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O [C13]4C2H13O9P +4 HMDB0001401 5958 4170 C00092 12.2 263.03586 GLUCOSE 6-PHOSPHATE +5 Glucose 6-phosphate 56-73-5 OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O [C13]5C1H13O9P +5 HMDB0001401 5958 4170 C00092 12.2 264.03922 GLUCOSE 6-PHOSPHATE +6 Glucose 6-phosphate 56-73-5 OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O [C13]6H13O9P +6 HMDB0001401 5958 4170 C00092 12.7 265.04257 GLUCURONATE Glucuronic acid 1700908 O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O C6H10O7 HMDB0000127 444791 42717 C00191 11 193.03538 GLUTARATE Glutaric acid 110-94-1 OC(=O)CCCC(O)=O C5H8O4 HMDB0000661 743 17859 C00489 10.2 131.03498 GLYCERALDEHYDE 3-PHOSPHATE +1 Glyceraldehyde 3-phosphate -641814 OC(COP(O)(O)=O)C=O [C13]C2H7O6P +1 HMDB0001112 729 17138 C00118 11.5 169.9941 GLYCERALDEHYDE 3-PHOSPHATE +2 Glyceraldehyde 3-phosphate -641814 OC(COP(O)(O)=O)C=O [C13]2CH7O6P +2 HMDB0001112 729 17138 C00118 11.5 170.99746 GLYCERALDEHYDE 3-PHOSPHATE +3 Glyceraldehyde 3-phosphate -641814 OC(COP(O)(O)=O)C=O [C13]3H7O6P +3 HMDB0001112 729 17138 C00118 11.5 172.00081 GLYCERATE Glyceric acid 473-81-4 OC[C@@H](O)C(O)=O C3H6O4 HMDB0000139 439194 32398 C00258 7.5 105.01933 GLYCEROL 3-PHOSPHATE sn-Glycero-3-phosphate 20883 C([C@H](COP(=O)(O)O)O)O C3H9O6P HMDB0000126 439162 15978 C00093 10.5 171.0064 GLYCEROL 3-PHOSPHATE +1 sn-Glycero-3-phosphate 20883 C([C@H](COP(=O)(O)O)O)O [C13]C2H9O6P +1 HMDB0000126 439162 15978 C00093 10.4 172.00975 GLYCEROL 3-PHOSPHATE +2 sn-Glycero-3-phosphate 20883 C([C@H](COP(=O)(O)O)O)O [C13]2CH9O6P +2 HMDB0000126 439162 15978 C00093 10.4 173.01311 GLYCEROL 3-PHOSPHATE +3 sn-Glycero-3-phosphate 20883 C([C@H](COP(=O)(O)O)O)O [C13]3H9O6P +3 HMDB0000126 439162 15978 C00093 10.4 174.01646 GMP GMP NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 C10H14N5O8P HMDB0001397 6804 17345 C00144 9.9 362.05072 GMP +5 GMP NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 [C13]5C5H14N5O8P +5 HMDB0001397 6804 17345 C00144 10.3 367.0675 GTP GTP NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 C10H16N5O14P3 HMDB0001273 6830 15996 C00044 11.6 521.98338 GTP +5 GTP NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 [13]C5C5H16N5O14P3 +5 HMDB0001273 6830 15996 C00044 11.6 527.00016 GUANOSINE DIPHOSPHATE GDP 146-91-8 NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O C10H15N5O11P2 HMDB0001201 8977 17552 C00035 13.1 442.01705 GUANOSINE DIPHOSPHATE MANNOSE GDP-mannose 3123-67-9 NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1 C16H25N5O16P2 HMDB0001163 18396 15820 C00096 13 604.06988 GULOSE Gulose 6027-89-0 OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O C6H12O6 HMDB0012326 10130220 37704 C15923 8.5 179.05611 HIPPURATE Hippuric acid 495-69-2 OC(=O)CNC(=O)C1=CC=CC=C1 C9H9NO3 HMDB0000714 464 18089 C01586 3.3 178.05097 HOMOGENTISATE Homogentisic acid 451-13-8 OC(=O)CC1=C(O)C=CC(O)=C1 C8H8O4 HMDB0000130 780 44747 C00544 5.3 167.03498 HOMOVANILLATE Homovanillic acid -581982 COC1=CC(CC(O)=O)=CC=C1O C9H10O4 HMDB0000118 1738 545959 C05582 5.1 181.05063 HYDROPHENYLLACTIC ACID Hydroxyphenyllactic acid 306-23-0 OC(CC1=CC=C(O)C=C1)C(O)=O C9H10O4 HMDB0000755 9378 17385 C03672 5.1 181.05063 HYDROXYPHENYLLACTATE Hydroxyphenyllactic acid 6482-98-0 OC(CC1=CC=C(O)C=C1)C(O)=O C9H10O4 HMDB0000755 9378 17385 C03672 5.1 181.05063 HYDROXYPYRUVATE Hydroxypyruvic acid 1113-60-6 OCC(=O)C(O)=O C3H4O4 HMDB0001352 964 30841 C00168 7.1 103.00368 IMP IMP O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O C10H13N4O8P HMDB0000175 8582 17202 C00130 11 347.03982 IMP +1 IMP O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O [C13]C9H13N4O8P +1 HMDB0000175 8582 17202 C00130 11.4 348.04318 IMP +2 IMP O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O [C13]2C8H13N4O8P +2 HMDB0000175 8582 17202 C00130 11.4 349.04653 IMP +4 IMP O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O [C13]4C6H13N4O8P +4 HMDB0000175 8582 17202 C00130 11.4 351.05324 IMP +5 IMP O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O [C13]5C5H13N4O8P +5 HMDB0000175 8582 17202 C00130 11.4 352.0566 IMP +7 IMP O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O [C13]7C3H13N4O8P +7 HMDB0000175 8582 17202 C00130 11.4 354.06331 IMP +8 IMP O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O [C13]8C2H13N4O8P +8 HMDB0000175 8582 17202 C00130 12 355.06666 IMP +9 IMP O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O [C13]9CH13N4O8P +9 HMDB0000175 8582 17202 C00130 12 356.07002 INDOLE-3-PYRUVATE Indolepyruvate -550448 OC(=O)C(=O)CC1=CNC2=CC=CC=C12 C11H9NO3 HMDB0060484 803 29750 C00331 3.5 202.05097 INDOLEACETALDEHYDE Indoleacetaldehyde 20095-27-6 O=CCC1=CNC2=C1C=CC=C2 C10H9NO HMDB0001190 800 18086 C00637 2.4 158.06114 INDOXYL SULFATE Indoxyl sulfate 487-94-5 OS(=O)(=O)OC1=CNC2=CC=CC=C12 C8H7NO4S HMDB0000682 10258 43355 4 212.0023 INDOXYL Β-GLUCOSIDE Indican C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O C14H17NO6 HMDB0061755 441564 16700 C08481 3.8 294.09831 ISOPENTENYL PYROPHOSPHATE Isopentenyl-diphosphate 358-71-4 CC(=C)CCOP(=O)(O)OP(=O)(O)O C5H12O7P2 HMDB0001347 1195 16584 C00129 9.2 244.99855 ITACONATE Itaconic acid 97-65-4 C=C(CC(=O)O)C(=O)O C5H6O4 HMDB0002092 811 30838 C00490 10.2 129.01933 L-GULONOLACTONE L-Gulonolactone 1615286 [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO C6H10O6 HMDB0003466 439373 17587 C01040 7 177.04046 LACTATE Lactic acid 79-33-4 CC(C(=O)O)O C3H6O3 HMDB0000190 612 422 C00256 5 89.02442 LACTATE +1 Lactic acid 79-33-4 CC(C(=O)O)O [C13]C2H6O3 +1 HMDB0000190 612 422 C00256 5 90.02777 LACTATE +2 Lactic acid 79-33-4 CC(C(=O)O)O [C13]2CH6O3 +2 HMDB0000190 612 422 C00256 5 91.03113 LACTATE +3 Lactic acid 79-33-4 CC(C(=O)O)O [C13]3H6O3 +3 HMDB0000190 612 422 C00256 5 92.03448 MALATE Malic acid 636-61-3 C([C@H](C(=O)O)O)C(=O)O C4H6O5 HMDB0031518 92824 30796 C00497 11.2 133.01425 MALATE +1 Malic acid 636-61-3 C([C@H](C(=O)O)O)C(=O)O [C13]C3H6O5 +1 HMDB0031518 92824 30796 C00497 11 134.0176 MALATE +2 Malic acid 636-61-3 C([C@H](C(=O)O)O)C(=O)O [C13]2C2H6O5 +2 HMDB0031518 92824 30796 C00497 11 135.02096 MALATE +3 Malic acid 636-61-3 C([C@H](C(=O)O)O)C(=O)O [C13]3CH6O5 +3 HMDB0031518 92824 30796 C00497 11 136.02431 MALATE +4 Malic acid 636-61-3 C([C@H](C(=O)O)O)C(=O)O [C13]4H6O5 +4 HMDB0031518 92824 30796 C00497 11 137.02767 MALONATE Malonic acid 141-82-2 O=C(O)CC(=O)O C3H4O4 HMDB0000691 867 30794 C04025 10.7 103.00368 MALTOSE Maltose 69-79-4 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O C12H22O11 HMDB0000163 439341 18167 C00897 9.5 341.10893 MANNITOL Mannitol 69-65-8 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO C6H14O6 HMDB0000765 6251 16899 C00392 8.3 181.07176 MANNOSE Mannose 3458-28-4 OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O C6H12O6 HMDB0000169 18950 4208 C00936 10.9 179.05611 MANNOSE 6-PHOSPHATE Mannose 6-phosphate 3672-15-9 O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O C6H13O9P HMDB0001078 439198 49728 C00275 11.6 259.02244 MELIBIOSE Melibiose 585-99-9 OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O C12H22O11 HMDB0000048 440658 4808 C05402 9.6 341.10893 MERCAPTOPYRUVATE 3-Mercaptopyruvic acid 10255-67-1 OC(=O)C(=O)CS C3H4O3S HMDB0001368 98 16208 C00957 11.9 118.98084 MESOXALATE Mesoxalic acid 473-90-5 OC(=O)C(=O)C(O)=O C3H2O5 HMDB0031522 10132 30842 C00830 13.1 116.98295 METHYL GALACTOSIDE Methyl beta-D-galactoside 709-50-2 CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O C7H14O6 HMDB0029965 445238 320055 5.5 193.07176 METHYLMALONATE Methylmalonic acid -505370 CC(C(=O)O)C(=O)O C4H6O4 HMDB0000202 487 30860 C02170 9.9 117.01933 MONOMETHYLGLUTARATE Monomethyl glutaric acid 1501-27-5 COC(=O)CCCC(=O)O C6H10O4 HMDB0000858 73917 1007322 C02930 2 145.05063 MYO-INOSITOL Myo-inositol O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O' C6H12O6 HMDB0000211 892 17268 C00137 11 179.05611 MYOINOSITOL Myo-inositol 87-89-8 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O' C6H12O6 HMDB0000211 892 17268 C00137 10.9 179.05611 N-ACETYLALANINE N-Acetylalanine 97-69-8 C[C@H](NC(C)=O)C(O)=O C5H9NO3 HMDB0000766 88064 40992 4.6 130.05097 N-ACETYLASPARTATE N-Acetylaspartic acid 997-55-7 CC(=O)N[C@@H](CC(O)=O)C(O)=O C6H9NO5 HMDB0000812 65065 21547 C01042 10 174.0408 N-ACETYLCYSTEINE N-Acetylcysteine 616-91-1 CC(=O)N[C@@H](CS)C(O)=O C5H9NO3S HMDB0001890 12035 28939 C06809 4 162.02304 N-ACETYLGLYCINE N-Acetylglycine 543-24-8 CC(=O)NCC(O)=O C4H7NO3 HMDB0000532 10972 40410 5.8 116.03532 N-ACETYLLEUCINE N-Acetylleucine 1188-21-2 CC(C)C[C@H](NC(C)=O)C(O)=O C8H15NO3 HMDB0011756 70912 17786 C02710 2.5 172.09792 N-ACETYLMETHIONINE N-Acetylmethionine 65-82-7 CSCC[C@H](NC(C)=O)C(O)=O C7H13NO3S HMDB0011745 6180 21557 C02712 3 190.05434 N-ACETYLSERINE N-Acetylserine 16354-58-8 CC(=O)N[C@@H](CO)C(O)=O C5H9NO4 HMDB0002931 65249 45441 6.4 146.04588 N-FORMYL-L-METHIONINE N-Formylmethionine 4289-98-9 CSCC[C@H](NC=O)C(O)=O C6H11NO3S HMDB0001015 439750 16552 C03145 3.4 176.03869 N-FORMYLGLYCINE N-Formylglycine 2491-15-8 OC(=O)CNC=O C3H5NO3 HMDB0255145 75606 21717 6.7 102.01967 NICOTIC ACID Nicotinic acid OC(=O)C1=CN=CC=C1 C6H5NO2 HMDB0001488 938 15940 C00253 4.3 122.02475 O-ACETYLSERINE O-Acetylserine 5147-00-2 CC(=O)OC[C@H](N)C(O)=O C5H9NO4 HMDB0003011 99478 17981 C00979 6.3 146.04588 OROTATE Orotic acid 65-86-1 OC(=O)C1=CC(=O)NC(=O)N1 C5H4N2O4 HMDB0000226 967 16742 C00295 6.1 155.00983 OXALATE Oxalic acid 144-62-7 OC(=O)C(O)=O C2H2O4 HMDB0002329 971 16995 C00209 12.3 88.98803 OXOGLUTARATE 2-Oxoglutaric acid 22202-68-2 OC(=O)CCC(=O)C(O)=O C5H6O5 HMDB0000208 51 30915 C00026 10.7 145.01425 OXOGLUTARATE +1 2-Oxoglutaric acid 22202-68-2 OC(=O)CCC(=O)C(O)=O +1 HMDB0000208 51 30915 C00026 10.7 146.0176 OXOGLUTARATE +2 2-Oxoglutaric acid 22202-68-2 OC(=O)CCC(=O)C(O)=O +2 HMDB0000208 51 30915 C00026 10.7 147.02095 OXOGLUTARATE +3 2-Oxoglutaric acid 22202-68-2 OC(=O)CCC(=O)C(O)=O +3 HMDB0000208 51 30915 C00026 10.7 148.0243 OXOGLUTARATE +4 2-Oxoglutaric acid 22202-68-2 OC(=O)CCC(=O)C(O)=O +4 HMDB0000208 51 30915 C00026 10.7 149.02765 OXOGLUTARATE +5 2-Oxoglutaric acid 22202-68-2 OC(=O)CCC(=O)C(O)=O +5 HMDB0000208 51 30915 C00026 10.7 150.031 OXOPROLINE Oxoproline 4042-36-8 OC(=O)C1CCC(=O)N1 C5H7NO3 HMDB0000805 439685 16924 C02237 6.1 128.03532 P-HYDROXYPHENYLACETATE 4-Hydroxyphenylacetic acid 156-38-7 OC(=O)CC1=CC=C(O)C=C1 C8H8O3 HMDB0000020 127 18101 C00642 5.8 151.04007 PALATINOSE Palatinose 343336-76-5 OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O C12H22O11 439559 18394 C01742 9.6 341.10893 PALMITIC ACID Palmitic acid CCCCCCCCCCCCCCCC(=O)O C16H32O2 HMDB0000220 985 15756 C00249 2.05 255.23295 PALMITIC ACID +2 Palmitic acid CCCCCCCCCCCCCCCC(=O)O [13]C2C14H32O2 +2 HMDB0000220 985 15756 C00249 2.05 257.23966 PALMITIC ACID +8 Palmitic acid CCCCCCCCCCCCCCCC(=O)O [13]C8C8H32O2 +8 HMDB0000220 985 15756 C00249 1.55 263.25979 PALMITOLEIC ACID Palmitoleic acid CCCCCC/C=CCCCCCCCC(=O)O C16H30O2 HMDB0003229 445638 28716 C08362 1.55 253.2173 PEP Phosphoenolpyruvic acid OC(=O)C(=C)OP(O)(O)=O C3H5O6P HMDB0000263 1005 44897 C00074 12.3 166.9751 PEP +1 Phosphoenolpyruvic acid OC(=O)C(=C)OP(O)(O)=O [C13]C2H5O6P +1 HMDB0000263 1005 44897 C00074 12.3 167.97845 PEP +2 Phosphoenolpyruvic acid OC(=O)C(=C)OP(O)(O)=O [C13]2CH5O6P +2 HMDB0000263 1005 44897 C00074 12.3 168.98181 PEP +3 Phosphoenolpyruvic acid OC(=O)C(=C)OP(O)(O)=O +3 HMDB0000263 1005 44897 C00074 12.3 169.98515 PHOSPHOLACTATE +3 - CC(C(=O)O)OP(=O)(O)O [C13]3H7O6P +3 5326965 45013 C19156 172.00081 PREGNENOLONE SULFATE Pregnenolone sulfate 1247-64-9 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O C21H32O5S HMDB0060382 105074 35420 C18044 2 395.18977 PYRIDOXAL-PHOSPHATE Pyridoxal 5'-phosphate 54-47-7 CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O C8H10NO6P HMDB0001491 1051 18405 C00018 10.9 246.0173 PYROCATECHOL Pyrocatechol 120-80-9 OC1=CC=CC=C1O C6H6O2 HMDB0000957 289 18135 C00090 9.3 109.0295 PYROGLUTAMATE Pyroglutamic acid 98-79-3 OC(=O)[C@@H]1CCC(=O)N1 C5H7NO3 HMDB0000267 7405 18183 C01879 6.1 128.03532 PYRROLE-2-CARBOXYLATE Pyrrole-2-carboxylic acid 634-97-9 OC(=O)C1=CC=CN1 C5H5NO2 HMDB0004230 12473 36751 C05942 5.3 110.02475 PYRUVATE Pyruvic acid 127-17-3 CC(=O)C(=O)O C3H4O3 HMDB0000243 1060 32816 C00022 4.1 87.00877 PYRUVATE +1 Pyruvic acid 127-17-3 CC(=O)C(=O)O [C13]C2H4O3 +1 HMDB0000243 1060 32816 C00022 4.1 88.01212 PYRUVATE +2 Pyruvic acid 127-17-3 CC(=O)C(=O)O [C13]2CH4O3 +2 HMDB0000243 1060 32816 C00022 4.1 89.01548 PYRUVATE +3 Pyruvic acid 127-17-3 CC(=O)C(=O)O [C13]3H4O3 +3 HMDB0000243 1060 32816 C00022 4.1 90.01883 QUINATE Quinic acid 77-95-2 O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O C7H12O6 HMDB0003072 6508 17521 C00296 8.2 191.05611 QUINOLINATE Quinolinic acid 89-00-9 OC(=O)C1=CC=CN=C1C(O)=O C7H5NO4 HMDB0000232 1066 16675 C03722 10.3 166.01458 RAFFINOSE Raffinose 512-69-6 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O C18H32O16 HMDB0003213 439242 16634 C00492 11 503.16176 RIBITOL Ribitol 488-81-3 OC[C@H](O)[C@H](O)[C@H](O)CO C5H12O5 HMDB0000508 6912 15963 C00474 7.2 151.0612 RIBOSE 5-PHOSPHATE Ribose 5-phosphate C(C(C(C(C=O)O)O)O)OP(=O)(O)O C5H11O8P HMDB0001548 77982 17797 C00117 10.9 229.01188 RIBOSE PHOSPHATE Ribose 5-phosphate C(C(C(C(C=O)O)O)O)OP(=O)(O)O C5H11O8P HMDB0001548 77982 17797 C00117 229.01188 RIBOSE PHOSPHATE +1 Ribose 5-phosphate C(C(C(C(C=O)O)O)O)OP(=O)(O)O [C13]C4H11O8P +1 HMDB0001548 77982 17797 C00117 9 230.01523 RIBOSE PHOSPHATE +5 Ribose 5-phosphate C(C(C(C(C=O)O)O)O)OP(=O)(O)O [C13]5H11O8P +5 HMDB0001548 77982 17797 C00117 9 234.02865 RIBOSE +1 Ribose 50-69-1 OC[C@H]1OC(O)[C@H](O)[C@@H]1O [C13]C4H10O5 +1 HMDB0000283 5779 47013 C00121 7.5 150.0489 RIBOSE +2 Ribose 50-69-1 OC[C@H]1OC(O)[C@H](O)[C@@H]1O [C13]2C3H10O5 +2 HMDB0000283 5779 47013 C00121 7.5 151.05226 RIBULOSE 5-PHOSPHATE Ribulose 5-phosphate OCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O C5H11O8P HMDB0000618 439184 17363 C00199 11.4 229.01188 RIBULOSE 5-PHOSPHATE +1 Ribulose 5-phosphate OCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O [C13]C4H11O8P +1 HMDB0000618 439184 17363 C00199 11.4 230.01524 RIBULOSE 5-PHOSPHATE +2 Ribulose 5-phosphate OCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O [C13]2C3H11O8P +2 HMDB0000618 439184 17363 C00199 11.4 231.01859 RIBULOSE 5-PHOSPHATE +3 Ribulose 5-phosphate OCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O [C13]3C2H11O8P +3 HMDB0000618 439184 17363 C00199 11.4 232.02195 RIBULOSE 5-PHOSPHATE +5 Ribulose 5-phosphate OCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O [C13]5H11O8P +5 HMDB0000618 439184 17363 C00199 11.4 234.02866 SACCHARATE Glucaric acid 87-73-0 O=C(O)(O)(O)(O)(O)C(=O)O C6H10O8 HMDB0000663 33037 16002 C00818 11.9 209.03029 SALICYLATE Salicylic acid 69-72-7 OC(=O)C1=CC=CC=C1O C7H6O3 HMDB0001895 338 16914 C00805 5.3 137.02442 SEBACATE Sebacic acid 111-20-6 C(CCCCC(=O)O)CCCC(=O)O C10H18O4 HMDB0000792 5192 41865 C08277 6.3 201.11323 SEDOHEPTULOSE-7-PHOSPHATE (D) Sedoheptulose 7-phosphate OC[C@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O C7H15O10P HMDB0001068 165007 15721 C05382 11.5 289.03301 SEDOHEPTULOSE-7-PHOSPHATE +1 Sedoheptulose 7-phosphate OC[C@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O [C13]C6H15O10P +1 HMDB0001068 165007 15721 C05382 12.2 290.03637 SEDOHEPTULOSE-7-PHOSPHATE +2 Sedoheptulose 7-phosphate OC[C@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O [C13]2C5H15O10P +2 HMDB0001068 165007 15721 C05382 12.2 291.03972 SEDOHEPTULOSE-7-PHOSPHATE +3 Sedoheptulose 7-phosphate OC[C@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O [C13]3C4H15O10P +3 HMDB0001068 165007 15721 C05382 12.2 292.04308 SEDOHEPTULOSE-7-PHOSPHATE +4 Sedoheptulose 7-phosphate OC[C@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O [C13]4C3H15O10P +4 HMDB0001068 165007 15721 C05382 12.2 293.04643 SEDOHEPTULOSE-7-PHOSPHATE +5 Sedoheptulose 7-phosphate OC[C@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O [C13]5C2H15O10P +5 HMDB0001068 165007 15721 C05382 12.2 294.04979 SEDOHEPTULOSE-7-PHOSPHATE +6 Sedoheptulose 7-phosphate OC[C@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O [C13]6CH15O10P +6 HMDB0001068 165007 15721 C05382 12.2 295.05314 SEDOHEPTULOSE-7-PHOSPHATE +7 Sedoheptulose 7-phosphate OC[C@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O [C13]7H15O10P +7 HMDB0001068 165007 15721 C05382 12.2 296.05649 SEDOHEPTULOSE +1 Sedoheptulose OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O [C13]C6H14O7 +1 HMDB0003219 5459879 16802 C02076 210.07003 SEDOHEPTULOSE +2 Sedoheptulose OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O [C13]2C5H14O7 +2 HMDB0003219 5459879 16802 C02076 211.07339 SHIKIMATE Shikimic acid 138-59-0 O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O C7H10O5 HMDB0003070 8742 16119 C00493 9.5 173.04555 SORBATE Sorbic acid 110-44-1 C/C=C/C=C/C(=O)O C6H8O2 HMDB0029581 643460 38358 2.9 111.04515 SORBITOL Sorbitol 50-70-4 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO C6H14O6 HMDB0000247 5780 17924 C00794 8.1 181.07176 SORBITOL +1 Sorbitol 50-70-4 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO +1 HMDB0000247 5780 17924 C00794 182.07512 SORBITOL +2 Sorbitol 50-70-4 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO +2 HMDB0000247 5780 17924 C00794 183.07847 SORBITOL +3 Sorbitol 50-70-4 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO +3 HMDB0000247 5780 17924 C00794 184.08183 SORBITOL +4 Sorbitol 50-70-4 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO +4 HMDB0000247 5780 17924 C00794 185.08518 SORBITOL +5 Sorbitol 50-70-4 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO +5 HMDB0000247 5780 17924 C00794 186.08854 SORBITOL +6 Sorbitol 50-70-4 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO +6 HMDB0000247 5780 17924 C00794 187.09189 SORBOSE Sorbose 87-79-6 OC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO C6H12O6 HMDB0001266 6904 13172 C00247 10.9 179.05611 STACHYOSE Stachyose 470-55-3 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O C24H42O21 HMDB0003553 439531 17164 C01613 12.2 665.21458 SUBERATE Suberic acid 505-48-6 C(CCCC(=O)O)CCC(=O)O C8H14O4 HMDB0000893 10457 9300 C08278 8.3 173.08193 SUCCINATE Succinic acid 110-15-6 O=C(O)CCC(=O)O C4H6O4 HMDB0000254 1110 15741 C00042 10.5 117.01933 SUCCINATE +1 Succinic acid 110-15-6 O=C(O)CCC(=O)O [C13]C3H6O4 +1 HMDB0000254 1110 15741 C00042 10.5 118.02269 SUCCINATE +2 Succinic acid 110-15-6 O=C(O)CCC(=O)O [C13]2C2H6O4 +2 HMDB0000254 1110 15741 C00042 10.5 119.02604 SUCCINATE +3 Succinic acid 110-15-6 O=C(O)CCC(=O)O [C13]3CH6O4 +3 HMDB0000254 1110 15741 C00042 10.5 120.0294 SUCCINATE +4 Succinic acid 110-15-6 O=C(O)CCC(=O)O [C13]4H6O4 +4 HMDB0000254 1110 15741 C00042 10.5 121.03275 SUCROSE Sucrose 57-50-1 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O C12H22O11 HMDB0000258 5988 17992 C00089 9.6 341.10893 TARTRATE Tartaric acid 147-71-7 O[C@@H]([C@H](O)C(O)=O)C(O)=O C4H6O6 HMDB0029878 439655 15672 C02107 11.9 149.00916 THREITOL Threitol 2418-52-2 OC[C@@H](O)[C@H](O)CO C4H10O4 HMDB0004136 169019 48300 C16884 6.2 121.05063 THYMIDINE Thymidine 50-89-5 CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O C10H14N2O5 HMDB0000273 5789 17748 C00214 3.1 241.08299 THYMIDINE-MONOPHOSPHATE dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O C10H15N2O8P HMDB0001227 9700 17013 C00364 8.9 321.04933 THYMIDINE-MONOPHOSPHATE +10 dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O +10 HMDB0001227 9700 17013 C00364 8.9 331.08283 THYMIDINE-MONOPHOSPHATE +2 dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O +2 HMDB0001227 9700 17013 C00364 8.9 323.05603 THYMIDINE-MONOPHOSPHATE +3 dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O +3 HMDB0001227 9700 17013 C00364 8.9 324.05938 THYMIDINE-MONOPHOSPHATE +4 dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O +4 HMDB0001227 9700 17013 C00364 8.9 325.06273 THYMIDINE-MONOPHOSPHATE +5 dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O +5 HMDB0001227 9700 17013 C00364 8.9 326.06608 THYMIDINE-MONOPHOSPHATE +6 dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O +6 HMDB0001227 9700 17013 C00364 8.9 327.06943 THYMIDINE-MONOPHOSPHATE +7 dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O +7 HMDB0001227 9700 17013 C00364 8.9 328.07278 THYMIDINE-MONOPHOSPHATE +8 dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O +8 HMDB0001227 9700 17013 C00364 8.9 329.07613 THYMIDINE-MONOPHOSPHATE +9 dTMP -560463 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O +9 HMDB0001227 9700 17013 C00364 8.9 330.07948 TREHALOSE Trehalose 99-20-7 OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O C12H22O11 HMDB0000975 7427 16551 C01083 10.5 341.10893 UDP UDP O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O C9H14N2O12P2 HMDB0000295 6031 17659 C00015 12.4 402.99492 UDP-GLCNAC UDP-N-acetylglucosamine CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O C17H27N3O17P2 HMDB0000290 445675 16264 C00043 10.6 606.07429 UDP +5 UDP O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O [13]C5C4H14N2O12P2 +5 HMDB0000295 6031 17659 C00015 408.01169 UMP UMP O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O C9H13N2O9P HMDB0000288 6030 16695 C00105 323.02859 UMP +5 UMP O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O [13]C5C4H13N2O9P +5 HMDB0000288 6030 16695 C00105 11.2 328.04536 URACIL Uracil 66-22-8 O=C1NC=CC(=O)N1 C4H4N2O2 HMDB0000300 1174 17568 C00106 4 111.02 URACIL 5-CARBOXYLATE Uracil-5-carboxylic acid 23945-44-0 C1=C(C(=O)NC(=O)N1)C(=O)O C5H4N2O4 90301 17477 C03030 9 155.00983 URATE Uric acid 69-93-2 O=C1NC2=C(N1)C(=O)NC(=O)N2 C5H4N4O3 HMDB0000289 1175 17775 C00366 8.4 167.02106 URIDINE Uridine 58-96-8 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O C9H12N2O6 HMDB0000296 6029 16704 C00299 4.9 243.06226 URIDINE 5'-DIPHOSPHATE UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O C9H14N2O12P2 HMDB0000295 6031 17659 C00015 12 402.99492 URIDINE 5'-DIPHOSPHATE +1 UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O +1 HMDB0000295 6031 17659 C00015 12 403.99827 URIDINE 5'-DIPHOSPHATE +2 UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O +2 HMDB0000295 6031 17659 C00015 12 405.00162 URIDINE 5'-DIPHOSPHATE +3 UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O +3 HMDB0000295 6031 17659 C00015 12 406.00497 URIDINE 5'-DIPHOSPHATE +4 UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O +4 HMDB0000295 6031 17659 C00015 12 407.00832 URIDINE 5'-DIPHOSPHATE +5 UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O +5 HMDB0000295 6031 17659 C00015 12 408.01167 URIDINE 5'-DIPHOSPHATE +6 UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O +6 HMDB0000295 6031 17659 C00015 12 409.01502 URIDINE 5'-DIPHOSPHATE +7 UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O +7 HMDB0000295 6031 17659 C00015 12 410.01837 URIDINE 5'-DIPHOSPHATE +8 UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O +8 HMDB0000295 6031 17659 C00015 12 411.02172 URIDINE 5'-DIPHOSPHATE +9 UDP 58-98-0 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O +9 HMDB0000295 6031 17659 C00015 12 412.02507 URIDINE DIPHOSPHATE GLUCOSE UDP-glucose 133-89-1 OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O C15H24N2O17P2 HMDB0000286 8629 46229 C00029 11.5 565.04774 URIDINE DIPHOSPHATE GLUCURONIC ACID UDP-glucuronic acid 2616-64-0 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O C15H22N2O18P2 HMDB0000935 17473 17200 C00167 13.2 579.02701 URIDINE DIPHOSPHATE-N-ACETYLGALACTOSAMINE UDP-N-acetylgalactosamine 7277-98-7 CC(O)=NC1C(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=CC(O)=NC2=O)OC(CO)C(O)C1O C17H27N3O17P2 HMDB0000304 1167 16650 C00203 10.9 606.07429 URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINE UDP-N-acetylglucosamine -501018 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O C17H27N3O17P2 HMDB0000290 445675 16264 C00043 10.9 606.07429 URIDINE DIPHOSPHATEGALACTOSE UDP-galactose 2956-16-3 OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O C15H24N2O17P2 HMDB0000302 18068 67119 C00052 11.5 565.04774 URIDINE MONOPHOSPHATE UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O C9H13N2O9P HMDB0000288 6030 16695 C00105 10.6 323.02859 URIDINE MONOPHOSPHATE +1 UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O +1 HMDB0000288 6030 16695 C00105 10.6 324.03194 URIDINE MONOPHOSPHATE +2 UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O +2 HMDB0000288 6030 16695 C00105 10.6 325.03529 URIDINE MONOPHOSPHATE +3 UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O +3 HMDB0000288 6030 16695 C00105 10.6 326.03864 URIDINE MONOPHOSPHATE +4 UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O +4 HMDB0000288 6030 16695 C00105 10.6 327.04199 URIDINE MONOPHOSPHATE +5 UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O +5 HMDB0000288 6030 16695 C00105 10.6 328.04534 URIDINE MONOPHOSPHATE +6 UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O +6 HMDB0000288 6030 16695 C00105 10.6 329.04869 URIDINE MONOPHOSPHATE +7 UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O +7 HMDB0000288 6030 16695 C00105 10.6 330.05204 URIDINE MONOPHOSPHATE +8 UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O +8 HMDB0000288 6030 16695 C00105 10.6 331.05539 URIDINE MONOPHOSPHATE +9 UMP 58-97-9 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O +9 HMDB0000288 6030 16695 C00105 10.6 332.05874 UTP UTP O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O C9H15N2O15P3 HMDB0000285 6133 15713 C00075 10.8 482.96125 XANTHINE Xanthine 69-89-6 O=C1NC2=C(NC=N2)C(=O)N1 C5H4N4O2 HMDB0000292 1188 17712 C00385 7.1 151.02615 XANTHOSINE-MONOPHOSPHATE XMP 523-98-8 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1NC(=O)NC2=O C10H13N4O9P HMDB0001554 73323 15652 C00655 12.7 363.03474 XYLITOL Xylitol 87-99-0 OC[C@H](O)[C@@H](O)[C@H](O)CO C5H12O5 HMDB0002917 6912 17151 C00379 7.2 151.0612 XYLULOSE-5-PHOSPHATE Xylulose 5-phosphate OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O C5H9O8P HMDB0000868 439190 16332 C00231 11.5 226.99623 METABOLITES_END #END