#METABOLOMICS WORKBENCH j_berg_20200610_183253 DATATRACK_ID:2051 STUDY_ID:ST001401 ANALYSIS_ID:AN002343 PROJECT_ID:PR000961 VERSION 1 CREATED_ON June 18, 2020, 11:54 am #PROJECT PR:PROJECT_TITLE Steady-state metabolomics time course of Saccharomyces cerevisiae mitochondrial PR:PROJECT_TITLE fatty acid synthesis (mtFAS) mutants PR:PROJECT_TYPE Steady-state targeted and untargeted metabolomics time course PR:PROJECT_SUMMARY The goal of this work was to analyze metabolic changes in yeast at various time PR:PROJECT_SUMMARY points with either the oar1 KO or the mct1 knock-out conditions when compared to PR:PROJECT_SUMMARY a time-matched wild-type samples using gas chromatography-mass spectrometry PR:PROJECT_SUMMARY (GC-MS). MD5 zip archive = a1be9bbea0088a4d21211763d37c49df PR:INSTITUTE University of Utah PR:DEPARTMENT Biochemistry PR:LABORATORY Rutter Lab PR:LAST_NAME Berg PR:FIRST_NAME Jordan PR:ADDRESS 15 N Medical Drive East RM 5520, Salt Lake City, UT 84112-5650 USA PR:EMAIL jordan.berg@biochem.utah.edu PR:PHONE 678-491-9884 PR:FUNDING_SOURCE NIGMS PR:CONTRIBUTORS Yeyun Ouyang, Tyler Van Ry, Jordan A. Berg, James E. Cox, Jared Rutter #STUDY ST:STUDY_TITLE Steady-state metabolomics time course of Saccharomyces cerevisiae mitochondrial ST:STUDY_TITLE fatty acid synthesis (mtFAS) mutants ST:STUDY_TYPE Steady-state targeted and untargeted metabolomics time course ST:STUDY_SUMMARY The goal of this work was to analyze metabolic changes in yeast at various time ST:STUDY_SUMMARY points with either the oar1 KO or the mct1 knock-out conditions when compared to ST:STUDY_SUMMARY a time-matched wild-type samples using gas chromatography-mass spectrometry ST:STUDY_SUMMARY (GC-MS). ST:INSTITUTE University of Utah ST:DEPARTMENT Biochemistry ST:LABORATORY Rutter ST:LAST_NAME Berg ST:FIRST_NAME Jordan ST:ADDRESS 15 N Medical Drive East RM 5520, Salt Lake City, UT 84112-5650 USA ST:EMAIL jordan.berg@biochem.utah.edu ST:PHONE 678-491-9884 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 95 ST:NUM_MALES N/A ST:NUM_FEMALES N/A #SUBJECT SU:SUBJECT_TYPE Yeast SU:SUBJECT_SPECIES Saccharomyces cerevisiae SU:TAXONOMY_ID SU:GENOTYPE_STRAIN BY4743 SU:GENDER Not applicable #FACTORS #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 at 0hr minR+Leu Sample1 Genotype:wild-type | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_1 SUBJECT_SAMPLE_FACTORS - WT at 0hr minR+Leu Sample2 Genotype:wild-type | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_2 SUBJECT_SAMPLE_FACTORS - WT at 0hr minR+Leu Sample3 Genotype:wild-type | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_3 SUBJECT_SAMPLE_FACTORS - WT at 0hr minR+Leu Sample4 Genotype:wild-type | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_4 SUBJECT_SAMPLE_FACTORS - WT at 0hr minR+Leu Sample5 Genotype:wild-type | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_5 SUBJECT_SAMPLE_FACTORS - WT at 0hr minR+Leu Sample6 Genotype:wild-type | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_6 SUBJECT_SAMPLE_FACTORS - oar1 KO at 0hr minR+Leu Sample1 Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_7 SUBJECT_SAMPLE_FACTORS - oar1 KO at 0hr minR+Leu Sample2 Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_8 SUBJECT_SAMPLE_FACTORS - oar1 KO at 0hr minR+Leu Sample3 Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_9 SUBJECT_SAMPLE_FACTORS - oar1 KO at 0hr minR+Leu Sample4 Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_10 SUBJECT_SAMPLE_FACTORS - oar1 KO at 0hr minR+Leu Sample5 Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_11 SUBJECT_SAMPLE_FACTORS - oar1 KO at 0hr minR+Leu Sample6 Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_12 SUBJECT_SAMPLE_FACTORS - mct1KO at 0hr minR+Leu Sample1 Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_13 SUBJECT_SAMPLE_FACTORS - mct1KO at 0hr minR+Leu Sample2 Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_14 SUBJECT_SAMPLE_FACTORS - mct1KO at 0hr minR+Leu Sample3 Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_15 SUBJECT_SAMPLE_FACTORS - mct1KO at 0hr minR+Leu Sample4 Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_16 SUBJECT_SAMPLE_FACTORS - mct1KO at 0hr minR+Leu Sample5 Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_17 SUBJECT_SAMPLE_FACTORS - mct1KO at 0hr minR+Leu Sample6 Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_18 SUBJECT_SAMPLE_FACTORS - WT at 15min minR+Leu Sample1 Genotype:wild-type | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_19 SUBJECT_SAMPLE_FACTORS - WT at 15min minR+Leu Sample2 Genotype:wild-type | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_20 SUBJECT_SAMPLE_FACTORS - WT at 15min minR+Leu Sample3 Genotype:wild-type | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_21 SUBJECT_SAMPLE_FACTORS - WT at 15min minR+Leu Sample4 Genotype:wild-type | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_22 SUBJECT_SAMPLE_FACTORS - WT at 15min minR+Leu Sample5 Genotype:wild-type | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_23 SUBJECT_SAMPLE_FACTORS - WT at 15min minR+Leu Sample6 Genotype:wild-type | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_24 SUBJECT_SAMPLE_FACTORS - oar1 KO at 15min minR+Leu Sample1 Genotype:oar1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_25 SUBJECT_SAMPLE_FACTORS - oar1 KO at 15min minR+Leu Sample2 Genotype:oar1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_26 SUBJECT_SAMPLE_FACTORS - oar1 KO at 15min minR+Leu Sample3 Genotype:oar1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_27 SUBJECT_SAMPLE_FACTORS - oar1 KO at 15min minR+Leu Sample4 Genotype:oar1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_28 SUBJECT_SAMPLE_FACTORS - oar1 KO at 15min minR+Leu Sample5 Genotype:oar1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_29 SUBJECT_SAMPLE_FACTORS - oar1 KO at 15min minR+Leu Sample6 Genotype:oar1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_30 SUBJECT_SAMPLE_FACTORS - mct1KO at 15min minR+Leu Sample1 Genotype:mct1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_31 SUBJECT_SAMPLE_FACTORS - mct1KO at 15min minR+Leu Sample2 Genotype:mct1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_32 SUBJECT_SAMPLE_FACTORS - mct1KO at 15min minR+Leu Sample3 Genotype:mct1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_33 SUBJECT_SAMPLE_FACTORS - mct1KO at 15min minR+Leu Sample4 Genotype:mct1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_34 SUBJECT_SAMPLE_FACTORS - mct1KO at 15min minR+Leu Sample5 Genotype:mct1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_35 SUBJECT_SAMPLE_FACTORS - mct1KO at 15min minR+Leu Sample6 Genotype:mct1_KO | Treatment:minR+Leu | Time:15min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_36 SUBJECT_SAMPLE_FACTORS - WT at 30min minR+Leu Sample1 Genotype:wild-type | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_37 SUBJECT_SAMPLE_FACTORS - WT at 30min minR+Leu Sample2 Genotype:wild-type | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_38 SUBJECT_SAMPLE_FACTORS - WT at 30min minR+Leu Sample3 Genotype:wild-type | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_39 SUBJECT_SAMPLE_FACTORS - WT at 30min minR+Leu Sample4 Genotype:wild-type | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_40 SUBJECT_SAMPLE_FACTORS - WT at 30min minR+Leu Sample5 Genotype:wild-type | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_41 SUBJECT_SAMPLE_FACTORS - WT at 30min minR+Leu Sample6 Genotype:wild-type | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_42 SUBJECT_SAMPLE_FACTORS - oar1 KO at 30min minR+Leu Sample1 Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_43 SUBJECT_SAMPLE_FACTORS - oar1 KO at 30min minR+Leu Sample2 Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_44 SUBJECT_SAMPLE_FACTORS - oar1 KO at 30min minR+Leu Sample3 Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_45 SUBJECT_SAMPLE_FACTORS - oar1 KO at 30min minR+Leu Sample4 Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_46 SUBJECT_SAMPLE_FACTORS - oar1 KO at 30min minR+Leu Sample5 Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_47 SUBJECT_SAMPLE_FACTORS - oar1 KO at 30min minR+Leu Sample6 Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_48 SUBJECT_SAMPLE_FACTORS - mct1KO at 30min minR+Leu Sample1 Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_49 SUBJECT_SAMPLE_FACTORS - mct1KO at 30min minR+Leu Sample2 Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_50 SUBJECT_SAMPLE_FACTORS - mct1KO at 30min minR+Leu Sample3 Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_51 SUBJECT_SAMPLE_FACTORS - mct1KO at 30min minR+Leu Sample4 Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_52 SUBJECT_SAMPLE_FACTORS - mct1KO at 30min minR+Leu Sample5 Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_53 SUBJECT_SAMPLE_FACTORS - mct1KO at 30min minR+Leu Sample6 Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_54 SUBJECT_SAMPLE_FACTORS - WT at 1hr minR+Leu Sample1 Genotype:wild-type | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_55 SUBJECT_SAMPLE_FACTORS - WT at 1hr minR+Leu Sample2 Genotype:wild-type | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_56 SUBJECT_SAMPLE_FACTORS - WT at 1hr minR+Leu Sample3 Genotype:wild-type | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_57 SUBJECT_SAMPLE_FACTORS - WT at 1hr minR+Leu Sample4 Genotype:wild-type | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_58 SUBJECT_SAMPLE_FACTORS - WT at 1hr minR+Leu Sample5 Genotype:wild-type | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_59 SUBJECT_SAMPLE_FACTORS - WT at 1hr minR+Leu Sample6 Genotype:wild-type | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_60 SUBJECT_SAMPLE_FACTORS - oar1 KO at 1hr minR+Leu Sample1 Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_61 SUBJECT_SAMPLE_FACTORS - oar1 KO at 1hr minR+Leu Sample2 Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_62 SUBJECT_SAMPLE_FACTORS - oar1 KO at 1hr minR+Leu Sample3 Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_63 SUBJECT_SAMPLE_FACTORS - oar1 KO at 1hr minR+Leu Sample4 Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_64 SUBJECT_SAMPLE_FACTORS - oar1 KO at 1hr minR+Leu Sample5 Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_65 SUBJECT_SAMPLE_FACTORS - oar1 KO at 1hr minR+Leu Sample6 Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_66 SUBJECT_SAMPLE_FACTORS - mct1KO at 1hr minR+Leu Sample1 Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_67 SUBJECT_SAMPLE_FACTORS - mct1KO at 1hr minR+Leu Sample2 Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_68 SUBJECT_SAMPLE_FACTORS - mct1KO at 1hr minR+Leu Sample3 Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_69 SUBJECT_SAMPLE_FACTORS - mct1KO at 1hr minR+Leu Sample4 Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_70 SUBJECT_SAMPLE_FACTORS - mct1KO at 1hr minR+Leu Sample5 Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_71 SUBJECT_SAMPLE_FACTORS - mct1KO at 1hr minR+Leu Sample6 Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_72 SUBJECT_SAMPLE_FACTORS - WT at 3hr minR+Leu Sample1 Genotype:wild-type | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_73 SUBJECT_SAMPLE_FACTORS - WT at 3hr minR+Leu Sample2 Genotype:wild-type | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_74 SUBJECT_SAMPLE_FACTORS - WT at 3hr minR+Leu Sample3 Genotype:wild-type | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_75 SUBJECT_SAMPLE_FACTORS - WT at 3hr minR+Leu Sample4 Genotype:wild-type | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_77 SUBJECT_SAMPLE_FACTORS - WT at 3hr minR+Leu Sample5 Genotype:wild-type | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_78 SUBJECT_SAMPLE_FACTORS - oar1 KO at 3hr minR+Leu Sample1 Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_79 SUBJECT_SAMPLE_FACTORS - oar1 KO at 3hr minR+Leu Sample2 Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_80 SUBJECT_SAMPLE_FACTORS - oar1 KO at 3hr minR+Leu Sample3 Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_81 SUBJECT_SAMPLE_FACTORS - oar1 KO at 3hr minR+Leu Sample4 Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_82 SUBJECT_SAMPLE_FACTORS - oar1 KO at 3hr minR+Leu Sample5 Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_83 SUBJECT_SAMPLE_FACTORS - oar1 KO at 3hr minR+Leu Sample6 Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_84 SUBJECT_SAMPLE_FACTORS - mct1KO at 3hr minR+Leu Sample1 Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_85 SUBJECT_SAMPLE_FACTORS - mct1KO at 3hr minR+Leu Sample2 Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_86 SUBJECT_SAMPLE_FACTORS - mct1KO at 3hr minR+Leu Sample3 Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_87 SUBJECT_SAMPLE_FACTORS - mct1KO at 3hr minR+Leu Sample4 Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_88 SUBJECT_SAMPLE_FACTORS - mct1KO at 3hr minR+Leu Sample5 Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_89 SUBJECT_SAMPLE_FACTORS - mct1KO at 3hr minR+Leu Sample6 Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_90 SUBJECT_SAMPLE_FACTORS - PB Sample1 Genotype:pb | Treatment:N/A | Time:N/A RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_PB1 SUBJECT_SAMPLE_FACTORS - PB Sample2 Genotype:pb | Treatment:N/A | Time:N/A RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_PB2 SUBJECT_SAMPLE_FACTORS - PB Sample3 Genotype:pb | Treatment:N/A | Time:N/A RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_PB3 SUBJECT_SAMPLE_FACTORS - QC Sample1 Genotype:qc | Treatment:N/A | Time:N/A RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_QC2 SUBJECT_SAMPLE_FACTORS - QC Sample2 Genotype:qc | Treatment:N/A | Time:N/A RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_QC3 SUBJECT_SAMPLE_FACTORS - QC Sample3 Genotype:qc | Treatment:N/A | Time:N/A RAW_FILE_NAME=Rutter_Ouyang_20190819_5977b_10to1_Yeast_QC4 #COLLECTION CO:COLLECTION_SUMMARY Metabolomics data were generated by growing the appropriate yeast strains in CO:COLLECTION_SUMMARY synthetic minimal media (S-min) supplemented with 2% glucose until they reached CO:COLLECTION_SUMMARY OD>600 between 0.6-0.8. Cells were then transferred to S-min media containing 2% CO:COLLECTION_SUMMARY raffinose and harvested after 0, 15, 30, 60, and 180 minutes CO:COLLECTION_SUMMARY (n=6/time-point/strain; except in one 3 hr wild-type sample, where n=5). CO:SAMPLE_TYPE Yeast cells CO:COLLECTION_LOCATION Rutter Lab, University of Utah #TREATMENT TR:TREATMENT_SUMMARY Metabolomics data were generated by growing the appropriate yeast strains in TR:TREATMENT_SUMMARY synthetic minimal media (S-min) supplemented with 2% glucose until they reached TR:TREATMENT_SUMMARY OD>600 between 0.6-0.8. Cells were then transferred to S-min media containing 2% TR:TREATMENT_SUMMARY raffinose and harvested after 0, 15, 30, 60, and 180 minutes TR:TREATMENT_SUMMARY (n=6/time-point/strain; except in one 3 hr wild-type sample, where n=5). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY To each sample was added boiling 75% ethanol (EtOH) solution containing the SP:SAMPLEPREP_SUMMARY internal standard d4-succinic acid (Sigma 293075). Boiling samples were vortexed SP:SAMPLEPREP_SUMMARY and incubated at 90°C for 5 min. Samples were then incubated at -20 ˚C for 1 SP:SAMPLEPREP_SUMMARY hr. After incubation the samples were centrifuged at 5,000 x g for 10 minutes at SP:SAMPLEPREP_SUMMARY 4˚C. The supernatant was then transferred from each sample tube into a labeled, SP:SAMPLEPREP_SUMMARY fresh 13x100mm glass culture tube. A second standard was then added SP:SAMPLEPREP_SUMMARY (d27-myristic acid CDN Isotopes: D-1711). Pooled quality control samples were SP:SAMPLEPREP_SUMMARY made by removing a fraction of collected supernatant from each sample and SP:SAMPLEPREP_SUMMARY process blanks were made using only extraction solvent and no cell culture. The SP:SAMPLEPREP_SUMMARY samples were then dried en vacuo. This process was completed in three separate SP:SAMPLEPREP_SUMMARY batches. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY All GC-MS analysis was performed with an Agilent 5977b GC-MS MSD-HES and an CH:CHROMATOGRAPHY_SUMMARY Agilent 7693A automatic liquid sampler. Dried samples were suspended in 40 µL CH:CHROMATOGRAPHY_SUMMARY of a 40 mg/mL O-methoxylamine hydrochloride (MOX) (MP Bio #155405) in dry CH:CHROMATOGRAPHY_SUMMARY pyridine (EMD Millipore #PX2012-7) and incubated for one hour at 37 °C in a CH:CHROMATOGRAPHY_SUMMARY sand bath. 25 µL of this solution was added to auto sampler vials. 60 µL of CH:CHROMATOGRAPHY_SUMMARY N-methyl-N-trimethylsilyltrifluoracetamide (MSTFA with 1%TMCS, Thermo #TS48913) CH:CHROMATOGRAPHY_SUMMARY was added automatically via the auto sampler and incubated for 30 minutes at 37 CH:CHROMATOGRAPHY_SUMMARY °C. After incubation, samples were vortexed and 1 µL of the prepared sample CH:CHROMATOGRAPHY_SUMMARY was injected into the gas chromatograph inlet in the split mode with the inlet CH:CHROMATOGRAPHY_SUMMARY temperature held at 250°C. A 10:1 split ratio was used for analysis of the CH:CHROMATOGRAPHY_SUMMARY majority of metabolites. The gas chromatograph had an initial temperature of CH:CHROMATOGRAPHY_SUMMARY 60°C for one minute followed by a 10°C/min ramp to 325°C and a hold time of 5 CH:CHROMATOGRAPHY_SUMMARY minutes. A 30-meter Phenomenex Zebron AB-5HT with 5m inert Guardian capillary CH:CHROMATOGRAPHY_SUMMARY column was employed for chromatographic separation. Helium was used as the CH:CHROMATOGRAPHY_SUMMARY carrier gas at a rate of 1 mL/min. CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 5977b CH:COLUMN_NAME Phenomenex Zebron AB-5HT (5m) #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Metabolomics Core AN:OPERATOR_NAME Tyler Van Ry AN:ACQUISITION_DATE 08-19-2019 #MS MS:INSTRUMENT_NAME Agilent 5977 MS:INSTRUMENT_TYPE HES-MSD MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS All GC-MS analysis was performed with an Agilent 5977b GC-MS MSD-HES and an MS:MS_COMMENTS Agilent 7693A automatic liquid sampler. Dried samples were suspended in 40 µL MS:MS_COMMENTS of a 40 mg/mL O-methoxylamine hydrochloride (MOX) (MP Bio #155405) in dry MS:MS_COMMENTS pyridine (EMD Millipore #PX2012-7) and incubated for one hour at 37 °C in a MS:MS_COMMENTS sand bath. 25 µL of this solution was added to auto sampler vials. 60 µL of MS:MS_COMMENTS N-methyl-N-trimethylsilyltrifluoracetamide (MSTFA with 1%TMCS, Thermo #TS48913) MS:MS_COMMENTS was added automatically via the auto sampler and incubated for 30 minutes at 37 MS:MS_COMMENTS °C. After incubation, samples were vortexed and 1 µL of the prepared sample MS:MS_COMMENTS was injected into the gas chromatograph inlet in the split mode with the inlet MS:MS_COMMENTS temperature held at 250°C. A 10:1 split ratio was used for analysis of the MS:MS_COMMENTS majority of metabolites. For those metabolites that saturated the instrument at MS:MS_COMMENTS the 10:1 split concentration, a split of 50:1 was used for analysis. The gas MS:MS_COMMENTS chromatograph had an initial temperature of 60°C for one minute followed by a MS:MS_COMMENTS 10°C/min ramp to 325°C and a hold time of 5 minutes. A 30-meter Phenomenex MS:MS_COMMENTS Zebron AB-5HT with 5m inert Guardian capillary column was employed for MS:MS_COMMENTS chromatographic separation. Helium was used as the carrier gas at a rate of 1 MS:MS_COMMENTS mL/min. Data was collected using MassHunter software (Agilent). Metabolites were MS:MS_COMMENTS identified and their peak area was recorded using MassHunter Quant. This data MS:MS_COMMENTS was transferred to an Excel spread sheet (Microsoft, Redmond WA). Metabolite MS:MS_COMMENTS identity was established using a combination of an in-house metabolite library MS:MS_COMMENTS developed using pure purchased standards, the NIST library and the Fiehn MS:MS_COMMENTS library. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AUC (unitless) MS_METABOLITE_DATA_START Samples WT at 0hr minR+Leu Sample1 WT at 0hr minR+Leu Sample2 WT at 0hr minR+Leu Sample3 WT at 0hr minR+Leu Sample4 WT at 0hr minR+Leu Sample5 WT at 0hr minR+Leu Sample6 oar1 KO at 0hr minR+Leu Sample1 oar1 KO at 0hr minR+Leu Sample2 oar1 KO at 0hr minR+Leu Sample3 oar1 KO at 0hr minR+Leu Sample4 oar1 KO at 0hr minR+Leu Sample5 oar1 KO at 0hr minR+Leu Sample6 mct1KO at 0hr minR+Leu Sample1 mct1KO at 0hr minR+Leu Sample2 mct1KO at 0hr minR+Leu Sample3 mct1KO at 0hr minR+Leu Sample4 mct1KO at 0hr minR+Leu Sample5 mct1KO at 0hr minR+Leu Sample6 WT at 15min minR+Leu Sample1 WT at 15min minR+Leu Sample2 WT at 15min minR+Leu Sample3 WT at 15min minR+Leu Sample4 WT at 15min minR+Leu Sample5 WT at 15min minR+Leu Sample6 oar1 KO at 15min minR+Leu Sample1 oar1 KO at 15min minR+Leu Sample2 oar1 KO at 15min minR+Leu Sample3 oar1 KO at 15min minR+Leu Sample4 oar1 KO at 15min minR+Leu Sample5 oar1 KO at 15min minR+Leu Sample6 mct1KO at 15min minR+Leu Sample1 mct1KO at 15min minR+Leu Sample2 mct1KO at 15min minR+Leu Sample3 mct1KO at 15min minR+Leu Sample4 mct1KO at 15min minR+Leu Sample5 mct1KO at 15min minR+Leu Sample6 WT at 30min minR+Leu Sample1 WT at 30min minR+Leu Sample2 WT at 30min minR+Leu Sample3 WT at 30min minR+Leu Sample4 WT at 30min minR+Leu Sample5 WT at 30min minR+Leu Sample6 oar1 KO at 30min minR+Leu Sample1 oar1 KO at 30min minR+Leu Sample2 oar1 KO at 30min minR+Leu Sample3 oar1 KO at 30min minR+Leu Sample4 oar1 KO at 30min minR+Leu Sample5 oar1 KO at 30min minR+Leu Sample6 mct1KO at 30min minR+Leu Sample1 mct1KO at 30min minR+Leu Sample2 mct1KO at 30min minR+Leu Sample3 mct1KO at 30min minR+Leu Sample4 mct1KO at 30min minR+Leu Sample5 mct1KO at 30min minR+Leu Sample6 WT at 1hr minR+Leu Sample1 WT at 1hr minR+Leu Sample2 WT at 1hr minR+Leu Sample3 WT at 1hr minR+Leu Sample4 WT at 1hr minR+Leu Sample5 WT at 1hr minR+Leu Sample6 oar1 KO at 1hr minR+Leu Sample1 oar1 KO at 1hr minR+Leu Sample2 oar1 KO at 1hr minR+Leu Sample3 oar1 KO at 1hr minR+Leu Sample4 oar1 KO at 1hr minR+Leu Sample5 oar1 KO at 1hr minR+Leu Sample6 mct1KO at 1hr minR+Leu Sample1 mct1KO at 1hr minR+Leu Sample2 mct1KO at 1hr minR+Leu Sample3 mct1KO at 1hr minR+Leu Sample4 mct1KO at 1hr minR+Leu Sample5 mct1KO at 1hr minR+Leu Sample6 WT at 3hr minR+Leu Sample1 WT at 3hr minR+Leu Sample2 WT at 3hr minR+Leu Sample3 WT at 3hr minR+Leu Sample4 WT at 3hr minR+Leu Sample5 oar1 KO at 3hr minR+Leu Sample1 oar1 KO at 3hr minR+Leu Sample2 oar1 KO at 3hr minR+Leu Sample3 oar1 KO at 3hr minR+Leu Sample4 oar1 KO at 3hr minR+Leu Sample5 oar1 KO at 3hr minR+Leu Sample6 mct1KO at 3hr minR+Leu Sample1 mct1KO at 3hr minR+Leu Sample2 mct1KO at 3hr minR+Leu Sample3 mct1KO at 3hr minR+Leu Sample4 mct1KO at 3hr minR+Leu Sample5 mct1KO at 3hr minR+Leu Sample6 PB Sample1 PB Sample2 PB Sample3 QC Sample1 QC Sample2 QC Sample3 Factors Genotype:wild-type | Treatment:minR+Leu | Time:0 min Genotype:wild-type | Treatment:minR+Leu | Time:0 min Genotype:wild-type | Treatment:minR+Leu | Time:0 min Genotype:wild-type | Treatment:minR+Leu | Time:0 min Genotype:wild-type | Treatment:minR+Leu | Time:0 min Genotype:wild-type | Treatment:minR+Leu | Time:0 min Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min Genotype:oar1_KO | Treatment:minR+Leu | Time:0 min Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min Genotype:mct1_KO | Treatment:minR+Leu | Time:0 min Genotype:wild-type | Treatment:minR+Leu | Time:15min Genotype:wild-type | Treatment:minR+Leu | Time:15min Genotype:wild-type | Treatment:minR+Leu | Time:15min Genotype:wild-type | Treatment:minR+Leu | Time:15min Genotype:wild-type | Treatment:minR+Leu | Time:15min Genotype:wild-type | Treatment:minR+Leu | Time:15min Genotype:oar1_KO | Treatment:minR+Leu | Time:15min Genotype:oar1_KO | Treatment:minR+Leu | Time:15min Genotype:oar1_KO | Treatment:minR+Leu | Time:15min Genotype:oar1_KO | Treatment:minR+Leu | Time:15min Genotype:oar1_KO | Treatment:minR+Leu | Time:15min Genotype:oar1_KO | Treatment:minR+Leu | Time:15min Genotype:mct1_KO | Treatment:minR+Leu | Time:15min Genotype:mct1_KO | Treatment:minR+Leu | Time:15min Genotype:mct1_KO | Treatment:minR+Leu | Time:15min Genotype:mct1_KO | Treatment:minR+Leu | Time:15min Genotype:mct1_KO | Treatment:minR+Leu | Time:15min Genotype:mct1_KO | Treatment:minR+Leu | Time:15min Genotype:wild-type | Treatment:minR+Leu | Time:30 min Genotype:wild-type | Treatment:minR+Leu | Time:30 min Genotype:wild-type | Treatment:minR+Leu | Time:30 min Genotype:wild-type | Treatment:minR+Leu | Time:30 min Genotype:wild-type | Treatment:minR+Leu | Time:30 min Genotype:wild-type | Treatment:minR+Leu | Time:30 min Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min Genotype:oar1_KO | Treatment:minR+Leu | Time:30 min Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min Genotype:mct1_KO | Treatment:minR+Leu | Time:30 min Genotype:wild-type | Treatment:minR+Leu | Time:60 min Genotype:wild-type | Treatment:minR+Leu | Time:60 min Genotype:wild-type | Treatment:minR+Leu | Time:60 min Genotype:wild-type | Treatment:minR+Leu | Time:60 min Genotype:wild-type | Treatment:minR+Leu | Time:60 min Genotype:wild-type | Treatment:minR+Leu | Time:60 min Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min Genotype:oar1_KO | Treatment:minR+Leu | Time:60 min Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min Genotype:mct1_KO | Treatment:minR+Leu | Time:60 min Genotype:wild-type | Treatment:minR+Leu | Time:180 min Genotype:wild-type | Treatment:minR+Leu | Time:180 min Genotype:wild-type | Treatment:minR+Leu | Time:180 min Genotype:wild-type | Treatment:minR+Leu | Time:180 min Genotype:wild-type | Treatment:minR+Leu | Time:180 min Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min Genotype:oar1_KO | Treatment:minR+Leu | Time:180 min Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min Genotype:mct1_KO | Treatment:minR+Leu | Time:180 min Genotype:pb | Treatment:N/A | Time:N/A Genotype:pb | Treatment:N/A | Time:N/A Genotype:pb | Treatment:N/A | Time:N/A Genotype:qc | Treatment:N/A | Time:N/A Genotype:qc | Treatment:N/A | Time:N/A Genotype:qc | Treatment:N/A | Time:N/A Glucose 5574165 2896187 13724810 7947432 3246266 6405150 4686997 3661504 2094820 1480090 2647917 4320584 3142934 3234076 3153104 2832460 2410297 2402800 11175 24743 3224 2042 5125 2059 3402 8283 5767 4223 1138 18669 18382 6055 23522 65211 11414 15840 2289 5259 9280 15036 859 2202 7101 557 11020 0 3939 0 3119 1488 1172 504 3562 5858 1509 5753 12244 15085 1075 4548 498 3662 4329 1566 0 785 960 1264 5952 407 0 1420 2524 0 7217 9467 7110 4966 998 11076 3498 1654 12963 0 8042 34280 4797 12067 16378 0 0 218 2873355 Glucose 6-phosphate 470621 415277 285089 305009 609865 635457 535023 286522 544627 393865 945566 291936 352231 254220 500175 354471 484734 506970 86841 162437 41945 24040 149746 98501 17944 41419 56984 42889 43450 17165 67941 66191 80945 48363 64967 70705 72114 78349 47093 33601 13081 7985 33354 15751 55408 25095 56095 6396 21440 34600 36851 26608 59171 48343 91404 226507 166927 167808 24918 249476 54998 13006 44803 20370 27835 8729 38707 52444 20968 35181 34748 31055 450275 170709 643381 400377 474250 212070 55618 200082 257013 234042 322433 55438 265831 466143 309532 353797 411206 361 160 126 256441 Fructose 6-phosphate 1481969 1551575 656211 1125744 1672550 1353748 1520934 1049803 2404209 1922651 4810581 715717 1584598 710753 1224807 849061 2365477 2195241 314081 475973 141592 102373 358076 319651 44462 117503 156231 116337 121081 29490 125287 131602 183768 101657 156354 171975 157325 196584 89833 82585 24435 14732 108257 20368 134536 60320 120671 12443 39871 67308 81295 57161 168485 111787 243292 668187 554455 650805 54969 778723 104346 8442 129676 50981 73883 21660 114141 156229 54024 101943 87581 49897 1334766 361612 2053268 1000869 1108965 589904 107891 682510 732930 800892 1262647 83978 982927 1317818 946704 1072549 1761856 0 683 0 701050 "Fructose 1,6-bisphosphate" 1822034 1768729 824199 877555 1898913 1207077 1757857 1108698 3411892 4308496 5002615 877916 1407413 879362 614350 47319 1791785 2442717 327233 556055 129517 127561 357463 319148 25333 148218 79537 221637 199991 76131 223306 180095 385943 48923 128871 251405 143455 183291 28534 67423 0 0 41390 0 36644 20132 148227 68574 0 31380 113204 33201 38399 47881 95658 1031856 473878 230054 7866 441800 0 0 14979 50075 10158 52842 10559 152216 8390 96854 10651 0 458692 0 372087 26465 0 12753 4176 49096 246984 90288 858898 6318 385832 234199 417028 359913 570226 0 0 326 712445 3-Phosphoglyceric acid 284492 287653 177797 286850 220410 218097 115715 111821 151699 105031 212680 66791 187181 106684 64235 42882 164200 113745 159075 203374 28872 15000 140105 117912 24383 31442 25902 26799 31986 16288 44116 42512 28395 9429 41799 42361 94416 114298 52564 32992 14964 16608 31835 21555 29404 30942 47279 22772 13935 31600 29505 32415 58100 42762 70873 196714 21531 35532 23762 103887 40020 24276 5426 10605 18905 16880 20739 36346 21023 25804 30700 18855 97786 17224 154894 77700 28520 32424 9361 27269 36968 35104 60757 5357 29765 36728 35929 49719 49980 436 109261 2042 88293 Phosphoenolpyruvic acid 11593 13347 9190 9714 7967 7124 4272 5912 6301 2335 11827 5320 11230 4760 3329 1269 6388 7751 6762 9777 786 1082 4197 6110 1402 2431 1164 1530 1856 0 2087 1041 1761 1827 4312 3138 6526 7223 4147 4830 3223 982 3805 0 2955 1134 1829 0 1573 1321 570 3890 2384 1229 7240 14872 3374 6436 1997 8451 1359 0 2431 0 2210 1026 721 2417 1087 0 0 0 11248 4825 9586 6289 7169 2943 0 4954 3479 3097 8413 0 2856 4498 2323 4359 8411 0 1238 812 5064 Pyruvic acid 245625 349425 269327 317901 272689 450349 91012 105366 126475 154817 301354 133593 170308 103738 123270 146263 181194 169597 364854 290093 356690 535342 127635 88883 48011 36894 107803 67262 66390 108010 172428 90826 113442 742426 52754 61658 186871 185878 167416 219557 154248 165259 63592 158910 172534 72546 89196 81488 113763 144451 88624 195265 82893 60226 115598 60386 383234 453165 54789 71843 97598 174837 907288 1148080 35523 39366 50168 48383 85104 42256 49176 179109 170539 176949 257434 168525 150569 147724 128159 155571 135545 171705 109845 146083 126981 326367 114130 120815 76949 13157 6509 13721 176017 Lactic acid 334652 193329 954249 563600 228043 587050 501798 497873 364286 292387 448712 452580 413228 271231 461443 276708 376304 270584 318088 238690 183827 322092 463961 378453 315391 293430 300282 152181 228407 355896 398521 494437 345884 539727 478166 286895 422054 235876 503058 612932 605366 621734 427941 682073 893197 809754 627891 576971 456010 518438 394234 905299 623273 396312 405503 398771 230606 395572 329943 498595 1082382 1774625 1600897 1435082 839028 800726 336471 878948 794020 828039 577959 883382 351009 1346030 261209 440661 592609 666295 1731810 1024505 766711 692604 460655 1092056 433993 883689 743488 659517 561720 281520 267299 239076 270510 Citric acid 132533 144586 114734 162055 161181 152453 98379 119803 134205 136434 361252 79588 166175 114624 140915 108674 295461 159324 52766 84123 21988 15680 51934 51159 6102 11146 11215 7542 8425 6089 12916 11747 16122 13270 12734 15544 118443 161900 93635 123770 68070 46463 13780 7737 76259 10735 15152 6755 10934 14816 12870 12442 19070 20690 88895 166991 208743 178222 51307 149877 9188 4920 24534 7477 5976 6090 8432 15461 13135 12345 7645 10152 161974 80875 289249 230431 213267 17456 7667 18784 22767 20131 34234 7500 22285 39084 28042 24413 40303 177 473 0 90947 cis-Aconitic acid 301 0 0 628 734 261 220 156 0 0 0 1005 0 77 267 641 531 106 0 283 0 339 1280 0 0 998 963 0 753 1130 0 0 1569 599 0 0 0 756 0 0 0 0 459 1752 1422 622 0 0 0 280 0 777 210 0 186 0 0 0 613 98 1665 875 211 152 0 0 413 0 0 541 0 0 0 0 0 888 1277 657 283 841 0 0 0 0 0 134 0 401 0 0 0 0 379 Isocitric acid 26619 0 24765 38851 0 45502 17466 45016 20651 17220 82070 32824 48019 24887 31652 24658 39595 45437 57222 15226 30953 26437 36247 60821 24266 20249 31565 15609 31828 26816 22219 29196 20221 22663 28409 16907 73156 51270 37911 91021 75567 52866 26482 32537 67830 23730 24515 27686 21090 32264 25914 32277 18912 16395 9081 43977 0 29118 31340 34806 21539 29071 34036 35466 17163 21918 16495 25691 27113 15305 13836 25493 29730 38356 0 36909 0 25777 30617 30593 29231 24977 26317 36025 22175 27409 31206 22221 40263 17825 14972 21447 28160 Succinic acid 3308581 3938966 2863456 3955781 3384955 3445805 4472763 3562392 5455635 4684500 5474831 2654683 3548457 2872814 3219806 2863103 4800461 2756447 1933764 1721017 2220648 2288026 1677155 1274783 1829657 2272090 2239275 1930185 1301533 1277881 1509600 1571234 2415298 2304031 2179323 1591099 2831358 2551770 1968122 3425441 1938534 1549425 2061883 2237167 1638707 2517369 1993183 1475370 1588062 1811203 2128354 2335198 2308260 1843020 2097893 2373943 3157559 4020073 1266937 2341076 2323754 1727064 3989975 3314459 1858931 1706244 1220656 2074666 2802612 2386484 2065979 2193117 4430346 2017190 6805578 5950037 4437245 3675432 2475334 4530806 4306285 3748109 4777083 2969680 4595988 5983764 5791012 4988004 5523870 144658 94163 115852 2669484 Fumaric acid 328357 324127 513165 431595 315783 371181 1809862 2548012 1923700 1434413 2730126 2311928 3042557 1866266 2130689 1823005 2372211 2506162 223908 181565 168363 178134 178619 150939 180621 217352 492241 163173 190540 372903 364299 371392 367706 454371 348643 262164 390201 296352 387914 521485 368338 347108 532741 495426 520902 810067 625390 619960 469973 630634 377131 636482 607690 601517 483248 738619 986833 1202432 352511 894544 1002558 956512 1622866 1141732 846732 943501 497452 1264722 1126696 955209 580770 1192400 1181609 1154328 1412022 1201346 1155458 2491512 1775979 3853341 3140576 2947986 4458146 2369057 3099785 3068555 3439886 2532244 4114279 275610 132124 91404 1079118 D-Malic acid 84739 78305 114987 103899 88861 89762 396211 706211 361689 312786 644651 724283 699270 534457 644279 613403 517217 707692 6965 14018 8593 5593 8783 5160 15452 27603 32258 17367 22806 44450 49183 36224 69198 52520 48591 43429 50584 49478 30886 69633 29955 36986 68972 77521 18371 183568 104684 129597 78450 147260 78993 84579 129899 117214 80555 159766 297209 304564 41499 204829 241875 100611 407554 373379 191915 206655 114504 246936 297868 229056 132365 282394 270214 222242 431319 322816 315385 959937 362320 1037238 1129073 832111 1410581 487638 1016079 1168304 990154 932779 1381282 512 0 604 238018 Ribose 55101 71763 72534 121798 11677 108516 93187 14237 78462 55217 161790 52023 98806 57216 81406 82224 184093 33759 43551 42873 45976 38301 46276 25246 17583 18492 16881 18528 15674 16366 22569 15953 29731 21948 20442 26690 28442 34949 33887 32878 19394 7989 17569 18252 34341 16660 28210 16246 29765 42582 19053 27091 22447 27760 14233 45063 27321 20952 18033 26474 27163 17498 19285 20396 11602 11912 26057 17442 13869 23526 30660 32743 49279 7580 24766 48187 29368 11665 29234 31106 21076 32918 48261 19252 32407 77601 81241 5368 41116 2063 2422 2402 51338 Glycine 1041617 1265011 921841 1172022 1183961 1181078 6607480 4309645 6947407 7389452 9136330 4842683 3776021 2480587 5544833 3872322 6035429 5401550 1156676 806636 1320660 1459961 1076575 835068 6768166 6002266 7349368 6413842 4839991 5600265 5874662 6887993 7445520 7100222 6783362 5698346 1235218 1036448 908183 1657949 957779 521568 6064702 4721416 691780 6053454 6748031 5032082 4445147 6398377 5588430 6613042 6721952 6754730 1072903 777913 1271600 1265878 587681 742598 6378327 5072263 6465196 5661467 4636150 3883725 3581800 5711632 4510163 5366331 4196662 4463571 742535 588496 925809 738742 901600 3440391 2467224 3034136 4439347 3968246 2917394 1947966 3188500 4054239 3773608 3086929 3060415 28726 31524 36328 4794486 Alanine 312406 348497 292327 374546 342938 361182 1396717 1739563 1318030 1657449 1817025 2140808 1755736 1634607 1755445 1512666 1621937 1881360 2366167 2304684 2604481 1937903 2264515 1298838 2273694 2591517 3326997 2853328 2533312 2776558 3586546 3842548 3597665 3846349 3838739 3197445 3694966 3204231 2586929 3180119 3547411 1210799 3387986 2858403 1847739 3886895 4184975 4322573 3994643 5018629 4307458 5599680 4132166 4706076 2226160 2175729 1313645 1366630 1783017 1514380 5993831 5053930 5155784 4673401 3432970 4432529 3708446 4748402 3755956 4598050 3609520 5010514 444653 410023 733494 466375 510949 8978262 4585896 7600455 9200870 9716382 7463231 4621918 6532914 11925126 10305317 9032164 9471463 7935 9953 13341 2226064 Valine 323075 198025 266446 280954 139501 291453 674916 711606 494593 680376 1004890 544684 878954 307822 705764 413431 651991 574591 815685 885207 777147 911809 932613 690318 618591 659378 814348 504489 366160 804369 1313897 1112715 1095488 1277621 813824 1218420 533522 941751 289933 1125846 353986 636546 639888 1179678 526035 413946 407040 541615 348736 1364951 861281 457538 822601 1201996 717233 529692 154089 311986 485306 155745 1571626 420644 1577222 1408492 1429532 957705 605509 2423410 1447240 1522064 377722 1760771 237997 136019 620356 335317 384207 1902943 1656566 2266162 1074895 1215612 1317699 1249220 1415028 1849277 1016302 1644656 1808497 0 1103 624 479363 Leucine 299447 256862 382148 372117 137341 191592 228622 227274 237851 173205 339874 215132 255083 181603 117715 86382 244402 113547 943856 1465164 900726 864796 1150160 669834 666887 922052 857494 758621 366505 707404 1195428 886722 891237 932138 663001 1131745 381733 1019676 270386 767540 228280 259173 662938 795637 349226 266994 452382 249838 222802 647816 614572 172881 561746 926974 305747 365122 127489 181513 180829 64356 806943 149331 417371 379340 494816 253099 235788 506164 350026 419034 134537 329264 237916 90774 398429 436576 426660 783403 176301 935484 459332 426002 664060 178126 478342 589409 280838 562109 690075 0 1889 372 449583 Isoleucine 918482 1088775 204192 1317470 952356 872934 1574799 1652263 2805159 2822352 2957338 1768472 2150232 1408191 1760186 1115247 2709800 2045962 1137136 1343119 1549154 1111398 1071193 783886 1370361 1521425 1623288 1590976 1299462 1498006 1670140 1485532 1749804 1430991 1452721 1372925 1384127 1807489 881612 1847880 768092 800061 1540598 1202977 732670 1567232 1432793 1011753 596182 945712 1342840 748917 1461418 1698605 1473791 1209961 1355078 1566206 873168 921520 1955832 1046783 2105599 1825205 1137194 1499758 1340038 1963657 2543008 1878630 1355765 2513537 930852 761100 1197505 758171 929759 2210355 1247865 2668508 2460495 2352939 3367480 2493975 2451714 2567117 2584338 2704778 5452192 185591 183443 186349 1368850 Proline 4175973 5003813 3253462 4602941 3972835 3389727 3314481 3527979 5338371 5538948 5635841 3473123 3775371 2396156 2948706 1881204 4298994 3447356 4138699 4080331 5293162 3968203 2752404 1876454 3860046 4132842 3280385 4895707 1651654 3048433 4149494 3253312 4197044 2844427 3282579 3695675 3042590 4479283 1688627 4037952 1533432 355740 2616936 1845881 466554 2335875 2222331 1543063 1170975 1998711 2295496 1055382 2730551 2991558 2134224 2948065 4944074 5077818 1274935 1972060 2137553 516028 1491561 1635868 1288390 1114883 1836067 793656 2136461 1513893 1140863 233860 3574762 586465 5813423 4222978 3223335 692748 643882 1792510 3361995 1901802 4256990 2045006 2889627 3468815 2721348 2436256 2754128 494140 565467 584818 3560567 Phenylalanine 947366 915469 1023658 1585768 1002968 804928 843042 841969 916777 1552897 1204378 762108 932563 466055 654223 459137 1163832 576154 1812808 2294573 3680990 2096167 1745376 1317583 594109 841679 1042254 799067 688549 812013 749084 639672 1199377 858841 811723 732175 1405415 2142325 1747698 2564329 1679227 1285957 1301858 967665 1417064 1055030 1172049 826289 450409 626948 676216 549176 1029401 1091478 1176218 1331680 629407 1325106 932362 936734 1603701 1314430 1220929 1007261 1175790 1038355 1070908 1247072 911945 1261043 864650 1328337 1200804 845892 1788527 1127601 1073565 1368732 701074 1201136 1196037 1302056 1210725 412471 835221 1358297 1144143 982716 1040479 3095 3468 4891 933845 Tyrosine 196543 460327 186445 207885 388333 279037 94751 52711 159800 128813 232771 23533 3751 2437 71385 62966 90369 115830 141282 57743 199284 264966 241738 130384 36767 23713 74430 26467 36742 21133 3335 17935 46905 15035 40181 9376 355311 178068 257372 511646 264388 90721 22232 65818 145447 187891 79037 84204 52045 98389 95624 83732 99482 71096 214862 93138 244028 340726 147784 114333 194488 92583 149514 209326 147117 134348 128578 132175 144847 156200 102743 94738 50576 36859 35485 90951 110118 0 20970 498 138543 18562 766 0 46104 0 40690 249 0 0 0 593 101819 Serine 3510769 4251296 3346829 4482804 3732308 4200831 2750645 3185225 3723623 4707230 7311210 3778324 4384882 2758945 3569228 2430962 4126570 4925351 2029937 1931339 2791568 2255091 1552279 1401123 889390 918861 1092129 959925 807627 916694 1179194 1071750 1114017 904681 980794 910498 2326798 2275996 2069208 3441154 1711087 935443 915040 585223 1767916 1312769 949095 656532 498094 671337 626708 589663 931195 932051 1790430 1793496 2542270 2969217 1032533 2004144 1405663 848181 1828207 1254990 956086 1048936 903458 1745417 1521064 1283079 831630 1355186 2373379 1870086 4425227 2886823 3324832 1579745 1399981 2041117 2148731 1861853 2737426 1211163 1886904 2876439 2395995 1656611 2402409 133381 143692 165708 2349999 Methionine 64723 136224 117484 122192 105557 57123 159452 110298 219611 300963 259744 104762 171543 44798 115073 68582 224231 133875 157436 148977 227234 140927 74486 75900 163645 160640 115299 174672 80741 141960 184532 122899 160463 151152 130891 125294 77198 82318 65055 123283 69042 49802 106951 93143 58316 105017 99451 89234 50053 62190 91438 72014 90458 109577 108403 50325 74660 104772 45996 53034 131692 123262 140679 95530 73838 80327 61029 61803 95254 88936 59389 90874 97755 72469 135334 100169 100654 39326 51433 43630 102995 65816 94527 60881 98102 103724 89027 85642 80156 1389 0 430 126039 Asparagine 35451 26119 21042 38518 28429 54515 17995 17116 13431 5796 30263 14136 10597 22728 18724 49160 16738 16699 0 1081 0 2169 2380 834 0 1992 0 2509 0 1078 734 0 2497 0 186 2152 0 0 0 0 0 1777 0 1525 891 1908 0 0 0 954 458 2762 291 660 0 0 5577 0 0 1827 0 0 2645 1079 0 0 379 5398 0 0 355 653 0 0 0 0 391 396 0 1573 0 1029 0 0 1020 3494 0 1483 1421 459 0 186 8910 Glutamine 30519 133257 14601 24531 56508 86765 17809 18693 52827 26470 39388 18839 16328 17710 37959 13084 25658 70044 32369 18288 17168 81214 32062 25638 3737 4583 8315 2624 5699 3405 5789 8114 9912 5426 9148 4718 1009049 10092 331857 475760 185641 19848 3468 5192 54455 19116 15253 52212 10330 24029 40985 40358 42791 8392 126905 43645 589897 2396997 216206 587697 16675 19890 168457 383080 63326 101776 6516 215443 39210 97782 7755 7008 112583 0 35544 19368 47606 18544 4424 19199 18374 18950 29642 9548 9427 50383 36075 20602 27180 288 0 0 19779 Aspartic acid 251201 255472 200066 333842 285694 313112 263101 387711 274329 456828 863137 496337 609569 321745 390579 269103 807979 557693 441411 599145 980612 616169 487284 357609 46867 96838 177955 102590 157490 131061 93869 71024 340684 235502 138201 102551 325283 548457 441117 671205 318433 138124 202299 157625 272086 361200 344886 282762 88257 174548 127456 134765 378560 400201 160495 198723 271206 359561 105021 219144 477814 240075 475296 397675 327425 247948 202383 369197 369250 390423 277574 357680 246950 127546 497896 224478 256487 379161 168623 443618 553111 525233 771918 152315 422746 799956 666963 491078 574001 0 0 540 312936 Glutamic acid 213718 415147 48859 160502 410602 201173 39004 78242 146909 184761 299026 55214 120195 6415 177748 138839 147353 348971 341572 271341 651849 431979 211252 145243 69881 57623 96809 67569 52420 40921 25610 59050 114640 37313 70433 36577 779526 664789 405351 765043 393999 105822 91456 68255 130151 200728 160070 165666 124989 168303 106881 131464 185689 148134 506934 623602 1239213 1222202 307567 638801 167683 103917 164657 284350 107959 113849 126585 138396 245746 139627 122923 95265 627357 266999 679642 524765 567926 312448 55864 142454 587920 510724 372578 79948 230236 75119 603750 93154 147792 0 0 0 161018 Lysine 1658366 3720668 762780 1314588 4382646 3131545 590717 207133 786566 723579 1558245 286011 46136 79372 605385 452999 556246 954777 1285682 686904 3477050 2692818 930794 613215 317427 33903 343997 77056 125416 27241 1841 50316 77760 0 106556 4150 2559920 1185764 1171392 2956286 1266008 377198 60929 234205 514150 289777 107050 182653 268635 493169 347399 351873 310515 108444 1421161 840220 2234529 2345728 564590 1018252 331462 199880 157798 186965 178306 131364 275379 313864 286825 291265 157422 191877 1251231 591300 548993 453318 718698 27634 116085 7168 307037 348209 36745 111248 194452 2735 480624 230 6523 0 223 199 895176 Pyroglutamic acid 1506650 1325869 1587736 1889508 1371008 1582471 1016044 1215599 1035235 1035626 1319741 1225629 1117599 820137 1285369 1071115 1143310 1254964 1456938 1405597 1376185 1505215 1266273 964237 700560 830374 853555 782445 559942 622118 785919 919786 1028299 863538 884941 745399 1037139 1392376 986143 1615300 948344 559968 472445 359367 724315 409054 489217 372944 327905 555633 344515 388967 545968 517025 986780 1422061 1500552 1737202 668785 1245979 439362 153969 689188 425981 328303 279883 388733 565801 511564 463080 324848 300986 1619741 1153392 2257000 1669619 1680766 1107823 691576 1331415 1433546 1728303 1287087 747130 1117311 1529264 1717794 1196739 1514194 7653 9259 12320 1114141 Ornithine 318208 704203 26400 102986 547191 550833 4573 877 11599 11997 18511 188 77 171 9550 5076 2584 6351 553097 80764 953126 770283 304174 274245 12387 2700 10642 2336 5159 1528 0 3309 2445 0 4716 391 964752 376495 401695 1008527 412088 136865 3206 4907 226910 9446 4417 3780 5768 11512 8295 8310 7872 4152 648608 434812 943324 926470 241986 541425 9385 6301 7756 5755 5538 4044 5548 6426 9369 8867 4507 5509 527487 259386 85351 156381 235573 654 3841 344 5937 9813 254 3539 2857 424 12452 215 511 0 187 0 49664 beta-Alanine 6233 7138 9142 8924 6463 6632 5306 5995 8194 5614 12453 6276 4524 1669 5104 5873 7751 7118 7853 6045 11178 7359 9256 4798 5418 5811 5483 5265 4129 4912 3462 6044 7665 5862 7219 5450 12412 7558 7006 12604 5998 5544 6461 4143 10692 4316 5058 4312 5914 4085 4306 4733 5673 6187 6447 4544 8252 9680 2899 9702 5108 4869 6309 6129 4018 3299 3527 7338 4869 3608 3575 6955 12149 7287 11316 10690 9211 9486 8904 9118 8471 7505 10138 6724 13400 9869 12882 8801 9572 772 1261 673 6071 Threonine 613995 522133 405726 607518 298185 580809 632135 674114 546644 599280 671250 635088 726052 411533 503129 471085 599374 691071 519909 480481 574310 524851 446834 295802 152441 176251 209808 190211 160536 146174 259612 230474 330925 265139 186399 220699 281301 581362 131201 515314 115192 146461 92349 155309 127686 100045 98941 73770 42827 284300 156364 77458 227851 295794 224838 273865 250694 199925 147972 33990 310386 145097 156257 203284 235910 105259 91894 279147 334656 241404 54359 318093 261439 309836 251870 330536 423488 441662 191038 426671 347730 248027 411443 118175 342540 460506 360384 381519 427582 106168 1462 7556 452304 Iminodiacetate 120861 82111 236187 104340 88455 197323 100537 55736 63126 53084 66897 63717 33937 24255 73323 66425 42426 68728 123002 46475 60151 114499 206116 163694 113004 85028 109472 61712 68011 85928 58937 160391 87889 96782 152225 55465 128556 39727 190921 221854 205169 243680 94735 180381 265824 91149 119855 93507 81640 98192 85128 183423 82698 79527 151004 34033 45799 133777 112929 170190 138047 332073 180845 89670 93910 82589 72999 158208 61852 98090 81569 171201 144508 390127 46453 163747 177077 34722 353753 116297 89154 114205 49351 298117 75552 37957 118327 53981 63863 104602 94047 109052 58492 cis-4-Hydroxyproline 139056 53791 233174 177946 79644 181655 96791 59850 48546 65945 60429 138259 117682 90098 92878 49576 67929 51898 175842 166881 99674 116896 201375 162283 77744 119691 87931 61401 85678 129474 147337 153487 137632 181510 142733 102591 128641 118406 152963 153200 139126 65477 145496 47895 243967 54648 140355 63595 31020 19279 78416 128158 83532 119346 83739 128038 77144 119867 85515 132307 40556 264812 125343 67430 73880 78882 18279 148926 19604 75793 17322 44593 191802 452217 142825 167341 189999 261629 328129 248654 93776 122867 154352 399254 103796 160739 130092 162747 233299 119282 105561 79936 76673 Fructose 1217526 2063753 1630224 1830249 1599278 1413472 1373155 1478274 2305201 1433989 2773050 1147404 1853321 1192420 1017107 672709 2380719 1411533 20025205 22318206 10428949 7514229 15388171 7112478 8588192 18537345 14159400 12891264 12981243 16494330 23985678 22173181 18561511 31130941 20418815 21561749 9390200 25519621 10429793 17312883 1911422 1355431 22386224 1229563 15845708 3924911 14288616 717115 9891542 5105522 7617898 2249055 11391737 18846875 6515034 30678092 30712291 39940847 515835 26776846 7336246 1484199 7476740 1985616 419020 399124 5190760 4206307 5758683 2248584 1530372 3170918 17980014 8283569 36021918 39496110 59464439 29586484 879593 38459875 24909366 17869668 22383823 1698809 27210872 46296826 28151378 35322077 33379412 528 6198 1915 10998535 Mannose 1467045 1599016 1282502 1833631 1297609 1151534 1857567 1734129 2434368 1810978 3363228 1471117 2405879 1543923 1372521 1031274 2805311 1762386 2322754 3122279 1285544 1009317 1492426 925621 1525314 2627057 2112073 2263469 1644504 1931996 2858611 2447117 2114843 2783463 2112479 2632690 1185259 2016283 1025039 1592793 376784 214256 2143340 669460 1058223 986719 1606313 386655 1121188 1164378 1218957 776949 1485469 1907926 540922 1496705 1749246 2294451 105372 1135616 856161 418321 783053 459562 380921 308178 764053 733953 707164 650234 377168 523794 645654 267319 2585445 1603354 2287190 1357765 63866 2051420 1184931 650871 1962452 93096 1785416 3147570 1270619 2251305 2624352 0 930 233 2041111 Sorbitol 6056857 6258959 6099315 6542215 5061674 6842258 1763930 4413561 2188254 2826725 4014525 3860549 3721315 3545631 3007338 3265476 3478182 4210018 2639323 2809574 3305069 2003463 2128685 1539839 1106698 1440826 2963598 1475211 1526799 1121983 1190916 1481119 2279689 2625487 1308713 1415285 2832481 3258682 1939834 3177548 1914177 992443 1796344 981701 1542174 1130447 1855830 947222 1502765 1444939 1206776 1082699 1860733 2440689 1724367 2223735 5499037 3771876 1091176 2070223 1433320 860470 1483108 1098508 669521 763109 889722 1224196 1037399 1078510 806095 1039078 1466748 939277 2309806 2513521 2366377 1162834 442786 913531 1572717 1225587 1453894 596531 1877224 1406091 1691233 719441 1086276 0 2370 4589 2895668 Ribitol 89898 152592 169886 157357 120083 98184 156349 162404 197775 106858 244364 160701 152130 141247 158131 116625 178165 154199 49239 43442 26134 23610 68903 33573 10184 13474 22211 14955 19315 14483 28763 18935 40967 29607 32956 32309 74988 33313 32996 40760 29217 26583 30991 16608 36274 27470 37886 36199 17431 36183 15754 28307 41828 19304 35199 78545 102443 146846 36639 76637 57683 38565 71375 51349 48749 29507 26472 102624 53750 47017 40399 25788 118235 78715 141627 72572 113794 121605 65994 223163 85137 106468 116777 88214 45169 255283 190020 88348 143197 6018 7183 6687 77265 Myo-inositol 894907 1010541 1331171 1244211 761738 739259 874206 774424 959041 1131566 1128805 618483 461284 177191 653314 701976 1345588 816158 4912444 4778203 5896594 4762739 4184814 2839932 2378312 3230398 2488427 2246727 1351616 2224499 3282415 3294008 2494089 2374634 2662146 2823269 4403943 4361890 3212157 5853937 3266536 1684016 2000442 2094204 2702373 1959751 1912642 1342025 1865194 2375844 1573479 2056831 2731640 2234247 1314505 1904670 1294338 1818587 920089 1235627 1268885 1288841 1438888 1284542 922200 842971 978122 1170873 1011893 1021094 1073913 1089487 958493 881992 1513574 1112207 1247992 1176949 600639 1144594 953325 957955 1162857 609492 942534 1367164 1175776 1049309 1403974 0 2736 3120 2352181 Inositol phosphate 4054243 2244191 2964426 1883799 657726 3428791 1350092 853191 1497569 2366249 2487841 639162 1427112 1789809 568999 937674 1308073 595676 1400187 1785286 1939269 587443 1055616 854625 533029 314561 851036 445455 981231 520655 398047 479178 829013 573267 311764 334950 3133545 2277886 3267758 4158546 3297760 1072002 1127909 1547884 1934251 776678 1337561 624382 735694 1064970 1756307 3371197 1070241 1283245 987107 1459835 601589 771340 772588 831209 724518 1531535 931903 762897 295310 328486 197228 528158 396800 328880 355672 1347992 884730 1082727 1125443 1598921 693058 761588 993743 1267992 1087442 904556 821942 493603 1028011 1824453 589272 1262252 1538596 336 19931 19914 601882 Sedoheptulose 7-phosphate 159705 182414 104106 146430 184390 181115 183706 132919 293938 281461 446206 108533 174388 96156 161724 131742 258288 274432 61185 78557 59898 40968 48193 59533 15446 24003 47258 37720 35021 26820 38062 44955 54123 39298 35026 33897 49160 57911 40435 48855 22399 16905 29529 27142 54085 29969 37344 21763 27239 39071 35664 39741 41714 32392 56028 86499 121942 129202 22418 97871 38542 19021 49212 29919 37703 27378 38916 54098 34034 46416 31725 38953 124638 70117 203145 115606 126522 65380 54299 93696 109062 122417 170520 51416 134312 203629 153734 132990 202645 2562 2375 725 110252 Glucosamine 1-phosphate 2334001 3520397 1353457 342165 3184757 4436962 129564 35085 86358 89498 141947 66264 208696 127515 50662 76006 112346 111490 4009765 836767 1898092 3801504 3671351 3131394 159030 33920 60155 37075 44420 44587 40580 113222 103769 25904 108422 33909 6469874 3702359 4212316 7930536 4104533 956952 93240 90013 2122327 45324 50390 43574 87239 162323 56500 169191 68187 138092 5129196 3699428 5836435 6738444 2118928 4087096 239091 120012 86467 41865 75897 58318 44266 129210 182798 15181 103512 91983 843355 444373 746892 1355856 3198849 112933 47918 94026 187500 136475 70187 0 22011 91103 153498 117249 99986 10982 9773 12709 330546 Galactonic acid 46537 116331 101137 46289 24984 42324 33251 43146 95316 78505 93722 29536 35050 25505 20154 21252 34441 9600 16968 17541 21310 36640 32698 26672 13596 14131 14894 16500 24532 9014 10181 10083 9658 8885 6622 8974 29533 24586 23408 41387 32463 88209 8660 26850 25460 28293 18134 26906 41797 31520 21188 28325 13624 13002 13536 36276 27609 32206 21439 12669 19031 24918 31754 26946 10819 18384 16273 12834 23109 12339 31232 10958 12718 10561 16819 34361 13599 18602 12677 33932 13018 14438 15417 18599 48602 29332 17741 20652 64128 2964 1178 341 13370 Cellobiose 216411 466435 78613 46129 240479 191301 25923 61587 40075 319768 149451 34314 74354 53388 14200 17585 74448 42905 30477 41617 0 0 0 0 0 0 19143 0 0 0 0 0 21995 20868 4921 32747 57454 0 16168 32863 6153 7152 34706 7754 28917 0 14897 15233 17960 36253 22261 37432 39839 41183 23751 76934 0 76015 0 98510 27567 10971 12707 29842 15825 23963 28728 51378 24848 7589 21623 28073 53705 0 0 0 0 0 0 32101 0 0 80610 28434 0 0 970 19897 80242 935 5158 376 9258 Sorbose 189025 146430 197006 253440 132525 100057 165364 293491 216032 161881 317503 226138 295816 261372 101556 125893 355845 125973 62993 92600 60455 45089 42932 25564 53274 71930 65755 59875 38316 52875 63666 57333 42568 68269 58652 45992 39852 33718 33612 50151 27088 15573 50460 32561 22130 40667 45343 22929 29718 38700 41190 26980 37773 47148 18263 35851 23766 35928 6796 26546 24129 22521 13903 21012 16759 14881 24805 22363 22540 16621 17006 20632 7777 7590 57042 27865 34227 19105 1426 11365 17458 9408 17362 4781 38275 57726 13237 36472 24036 0 162 0 120178 Threitol 162172 188132 123682 164023 162424 172808 112887 113745 150372 151231 173351 96107 124324 89792 121742 123212 131427 143481 115224 155728 183195 196399 111902 74524 56699 81256 133694 117216 106894 64000 84170 75310 143029 198037 72436 79059 69642 72437 49272 55480 37176 0 66929 18808 48744 59388 59830 31903 43528 34126 49521 41322 58594 54984 37975 77159 285942 295407 12532 85809 35600 37093 153108 64700 46276 35097 32374 52992 45989 54537 29707 41344 76329 48514 142711 136049 145373 121813 42138 153420 146023 115499 209735 44425 195121 480948 123092 203014 358647 3146 0 6181 122763 Threonic acid 28287 54968 53721 40210 42304 35291 23900 31311 38727 29926 59433 39429 33031 30223 25943 26252 48791 31198 19121 20773 24467 26726 23329 14730 15330 18909 25678 19620 23991 21083 18779 17752 22853 27438 18988 15922 17343 20425 12897 27935 13630 10481 26982 23944 10804 26987 19905 37050 7983 28151 19799 24910 31890 26820 22385 27367 28695 40153 17059 27155 61580 22515 106402 99382 55859 55011 35829 59615 68062 55739 40993 51084 9380 0 16978 15078 16642 153068 40356 87382 110489 127829 117972 32817 71028 88560 64968 78833 101785 306 2990 1337 18788 Pelargonic acid 4667815 2494094 7166062 3864867 1961063 5366000 2566213 2175796 2672899 2325616 2147246 2645498 1683891 2603088 1787685 2367126 1653512 1322136 2865948 2866227 2293469 2851724 4191487 3565603 2843062 2867503 2971733 1772494 2254725 2949486 3292883 4164593 2778397 3798319 3748267 2364218 5418826 3416137 7985233 7479479 7063162 7588412 4601521 6532172 10833205 2814442 3828832 2323442 4074399 3287021 3251380 6767332 2872266 2787942 4068799 3518891 1843666 3324135 3272982 4391772 3756230 7131065 5008793 2008303 2176718 2076110 1593682 3577845 1970158 2771923 2168825 5826604 4322382 16326538 3047859 4632340 5995067 3616844 10768286 5370112 2918720 4917956 1980875 10270356 2567093 3457658 3507732 3198127 3843078 4223636 4722222 4493402 2229360 Capric acid 85700 415329 299963 280890 97007 183599 213747 133744 777069 1006363 828999 140038 48485 75781 131358 231495 155041 52763 91143 74084 131125 131514 147285 86630 116128 55021 153778 58432 54173 140248 100919 174634 90740 113636 122496 78011 151909 78551 181123 218405 207410 326500 118489 218234 283679 206442 113872 134127 195589 187195 95303 257621 85890 92977 111741 118479 86548 153856 95469 136426 153459 278078 181403 145292 80992 101325 84744 190543 138692 108320 122929 311563 116362 396324 113244 196528 234437 236520 348176 168787 121657 225441 71420 330161 145237 147144 158094 119967 138034 204736 296600 281861 58134 Myristic acid 1348757 1093147 2287538 928716 711697 2207192 1140888 767754 1042030 981455 991198 587378 528017 528361 767870 552808 403680 289595 1666389 715803 875804 1686982 1558865 2130092 940164 567436 958748 391296 931746 852073 679256 989065 480833 788527 874351 539361 3210681 1438510 2308389 3324439 3329285 3964998 655036 1483512 2315391 664239 731598 827100 711619 989889 926728 1470442 502297 416510 1685468 2515657 1124136 2140851 2050770 1847023 519558 1445827 826703 567447 399388 695904 362911 741377 409152 604631 487500 913878 1096700 2546438 419756 1139072 1186489 508065 1787197 977937 445719 375997 338132 1977992 606802 502544 653691 579795 970250 955874 496273 690734 344928 Palmitoleic acid 4907085 4432305 10821123 13215066 2724814 9018144 5023791 2215665 3460828 3343493 5637265 2568585 3221731 4268896 4421821 7936260 5052291 2469668 2420087 2309731 6439667 2692257 3308562 1541412 1856596 658229 3421810 1060721 1085484 3792735 1379568 2423686 1346775 2055537 1650096 891239 3479648 2626140 4245280 5615990 4546751 5203657 2144573 4755347 4907245 1762954 2150657 1658125 3592074 3637930 2305636 5553136 1584093 1713949 2195030 2504020 1464783 3431476 1786486 2087069 2710169 4983902 3353211 2304600 642342 1311281 1338980 1465352 1774037 1152298 1782212 5218311 4693564 9749227 2784041 7254884 4166156 8774174 5889319 4335524 3720675 5222551 2057122 6829823 2942918 5038675 4179761 2323163 3019309 577192 992254 955670 2274547 Palmitic acid 2920199 1865007 4550152 1752768 574076 4942968 1155544 780656 1338587 1441371 1512115 415758 1109721 1676159 710978 1280253 508134 496426 1364149 1168520 1849815 896057 1086807 1451020 620120 166677 834609 269551 1653302 751394 214379 356585 324390 407765 247653 175020 2901484 1685660 2557936 4452176 3511349 6697844 1401802 2605621 3813783 620631 1040119 776324 1441711 1168314 1696164 3624842 989656 857458 1224892 2698399 620532 1502941 2356704 1371707 578621 1820591 957966 939413 309502 639328 311128 637900 538248 440174 580009 1987246 1163466 1804311 657905 1602326 961883 974134 2051574 2148148 849608 1226914 771602 2926610 1194648 1480874 1005947 1310778 2595456 81543 73047 54056 589210 Linoleic acid 6445 6445 11471 12209 3166 11481 4790 0 5517 4344 7261 3071 4677 6176 4460 8990 7591 0 4313 3108 9474 3240 3909 2606 1829 1366 2852 1381 2118 5289 3234 2269 1440 1623 2022 0 3052 2953 5961 7605 0 6806 3760 7675 7386 9753 3216 2856 5284 4700 3373 7526 2516 3760 3793 3754 3049 5897 0 0 5603 5505 5588 1605 2493 2146 1802 7319 2423 247 2557 6555 5722 16317 4788 8446 6644 9039 10228 5845 4284 5579 3428 7569 3285 5791 5631 6191 3910 8379 0 0 3033 Oleic acid 1178252 874710 1961542 3102054 581969 2503423 905857 450836 659234 644772 1165288 481482 761087 1084324 912692 1862748 1078216 493431 488883 538628 1359685 479442 764998 361951 403824 147173 746870 217115 268562 742894 271581 490077 294976 416623 354274 176018 824518 589261 1004534 1408258 1254732 1456676 505992 1104221 1202905 454149 500234 356138 753247 724329 557415 1471147 378470 490575 523627 576214 310282 723952 473956 510330 569716 1180612 658908 365058 235856 312996 266437 315927 353019 239910 373727 1128776 1016255 2520797 940485 1693399 1419842 1720781 1324437 973134 676708 1183246 433581 1717258 578797 1022663 887987 842589 867959 939857 261783 219606 477935 Elaidic acid 54710 54664 231183 312256 38691 155773 50229 96355 113144 56061 76928 27411 0 138024 123211 169093 131601 73218 95197 73460 97070 58104 114148 51392 50283 20483 100465 31788 39387 121997 50951 73903 24510 81499 38064 28679 118296 94892 166897 259980 258232 289320 70714 136359 196616 81020 31890 56221 96687 96538 47912 186384 30386 80728 117675 182236 35530 101023 87951 33862 85367 187188 113885 41863 46057 44782 35368 40303 46620 41945 58980 133730 118809 356619 48232 264834 277126 183906 202455 103918 95350 141853 62395 198286 124706 176533 100513 148108 106939 0 51896 47118 84942 Stearic acid 2481308 1586737 3364419 1168247 380012 4786501 987592 765614 1227622 1664167 1712521 365344 972035 1616413 472457 1114259 359764 300982 1152252 1192176 1892719 594738 792950 1314987 587873 142265 879830 236971 2322901 865268 168706 277349 345353 345793 174672 136230 3737592 2056668 3190439 6517378 4076487 9272888 1527549 2676520 3884991 528779 1028627 663211 1430543 1051293 1952901 4512361 1064957 914797 1564440 3968142 667982 2197939 3194862 1834099 451909 1367878 701497 736947 202398 456854 199265 392246 348646 293126 421663 2199398 869591 1807969 480285 1140466 646135 846227 1921860 1810689 605414 1060151 599209 2833395 747443 1230985 789015 1273097 2355516 157786 153075 37132 477808 Arachidic acid 96651 67710 57137 36732 25923 92458 33895 20474 24609 32352 104183 14068 22820 40356 12761 21170 30625 26955 20440 28662 29480 9931 12956 19104 9418 2988 12430 7267 18096 8744 6443 4105 10794 9938 3671 4374 51752 35264 41504 62620 55702 9322 16942 29932 16092 7367 17805 10715 13236 21388 27082 67711 17541 23801 19054 24435 13323 20115 14840 7033 9154 21004 15984 11040 3032 4281 4253 8328 0 4636 5853 17360 13520 12731 20460 21813 6377 9033 14180 17099 17954 13340 12504 6869 15254 27416 12690 19170 21121 0 212 0 15121 Arachidonic acid 1166 0 2977 5756 0 0 349 3089 4329 0 0 1785 300 0 2664 918 2873 3395 1452 2907 610 0 3338 0 2724 0 441 1057 0 0 0 0 768 1831 0 310 1346 0 3297 1017 0 0 1869 0 0 1451 1864 648 1599 0 342 3654 343 1095 0 1971 617 0 2571 3667 0 2653 667 247 0 0 0 1650 2047 0 0 4003 0 0 1817 0 8019 1806 846 0 0 0 159 0 2662 1757 2750 1959 2680 0 432 450 3802 Malonic acid 6383 4553 0 8400 3923 0 4212 5000 11026 11182 12055 4309 6458 4045 3563 4229 3477 4034 7702 4603 5375 5258 9403 0 6488 12675 11540 6589 8304 8292 3884 11490 6505 0 2497 7207 14499 11387 6676 4209 3717 912 6719 6126 10834 8192 8892 7267 2664 3741 6422 9169 11518 9338 11612 7441 0 8034 7327 7343 5442 13431 4499 7013 6514 4808 3281 21176 4362 9480 1734 5690 3649 9803 4382 4797 1249 15854 19823 18806 13140 21909 18685 13273 12321 16295 18958 11792 15702 5881 0 2518 5321 Unknown acid 731164 718043 1747144 1364921 754068 1056449 1444023 627899 624032 592268 831178 740692 607220 1048619 641627 718027 674467 675882 745617 674028 267792 843590 1660700 856339 893433 851571 1145486 813168 980112 919718 1542826 1487562 1136396 1535706 1188127 1337265 1105889 925885 1105938 935111 2547869 993610 943617 1607832 1117464 136379 1132899 556388 802200 921527 673411 1357109 353208 477365 1161938 674404 463379 266997 808778 3768230 924525 2085396 195368 592772 481641 452840 308104 934438 757994 619048 474328 512980 592807 637116 1136068 2252812 2027793 312000 1694278 898867 993691 726568 115128 2877626 533610 904184 1108476 537302 559940 878327 657983 1083239 588882 Margaric acid 57934 0 4695 0 21770 0 0 0 0 11644 0 0 0 0 0 570 0 6204 0 0 0 0 0 0 0 0 0 0 0 0 0 11993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8265 0 0 5016 0 11018 22694 0 0 0 0 0 0 0 0 4908 0 0 0 0 9281 0 0 4676 0 0 0 0 12912 0 0 60264 3070 0 0 0 0 0 0 0 0 0 0 0 0 #DIV/0! MG(14:0) 36431 27270 35841 38193 12635 39636 24080 21344 40280 30883 38627 20656 14071 25722 22286 32334 28701 21800 15754 18144 16904 14616 27146 15118 14750 13107 17812 11018 15411 16348 11213 20369 14606 18442 17775 8425 32471 18995 40595 45308 46324 41491 19028 36560 53647 16006 18556 15322 20733 17401 23351 38902 16544 17379 22304 23877 10138 21774 23587 27561 24017 33713 32729 17714 10761 10887 9220 15425 12598 14545 10845 37733 27924 61754 16849 32558 28920 34131 45206 36924 19974 27975 14715 56887 15894 21500 21971 23875 37443 10271 8611 7231 45471 2-Monopalmitoylglycerol 893 6472 809 6063 6276 7733 3656 8769 13025 4806 33703 2707 3598 0 3944 8771 12719 13822 2595 1215 4631 0 0 0 0 0 0 630 0 3023 0 0 1156 1414 672 0 1989 0 0 0 0 0 1692 5775 3214 0 0 1155 336 0 3201 1821 1871 980 701 1595 1874 2595 0 0 0 3449 0 2186 177 1276 790 0 843 0 0 0 2691 4623 3743 1847 0 3906 2401 1745 641 5297 1915 8253 0 2585 0 2724 3938 1584 0 0 1472 MG(16:0/0:0/0:0) 186576 90180 200770 111288 57840 211153 78162 59616 62349 57800 53486 76157 57052 74195 59249 80184 35328 41885 62482 66917 81109 67036 101322 78084 60660 46056 76162 33165 62922 68887 58290 100218 58854 82496 85456 42500 158738 96891 207912 219107 189725 258415 88730 184218 269900 59413 85981 59389 110368 75926 91217 184159 61160 66358 113467 114299 51050 96016 120795 121196 98129 191836 144821 71282 49379 51539 36672 74601 51880 61816 43239 180222 130119 399870 85751 155320 171113 90985 292517 138466 77590 102401 53427 294694 69223 80283 97251 105781 105031 32595 39223 38837 270696 2-Steroylglycerol 12235 13511 0 15623 12212 3245 0 11404 0 8053 6411 9697 3009 5420 0 15174 0 4046 0 845 0 360 1444 0 0 1296 1911 0 1055 0 0 2565 0 0 0 0 2895 1160 2751 0 0 21576 3509 1706 15070 0 0 0 0 2779 0 0 487 0 2113 0 0 0 0 0 561 3017 6355 0 0 439 0 708 0 0 0 0 25240 0 9263 41625 3233 0 0 36767 18804 10439 9475 7647 11800 19099 36413 0 4889 0 1169 507 0 1-Steroylglycerol 1887650 1063838 1272616 849409 495017 1481417 680293 608975 957315 1154663 849562 563548 836165 705803 353699 480140 532313 481276 565153 642805 726386 491478 674951 601718 334674 440850 543893 322293 531114 472539 392095 584985 451353 604668 493651 324715 930337 707974 1180274 1261595 1125756 1356891 681264 1145641 1445704 410043 620347 379473 608026 471540 610257 1053579 467853 456640 628294 907980 401099 692626 552084 828349 507290 888694 966337 443076 300881 301525 262692 437550 325715 398276 279890 975043 1037273 1956813 578729 872803 894783 546992 1396392 1132140 530470 1054095 610940 1667640 530795 531195 789661 692628 1215805 371454 316478 260179 3500503 Glycerol 5333714 3276049 24004146 5921948 0 18232794 4819501 5170881 12262970 6164609 0 4233044 4834053 8939183 4793781 3742502 0 0 7021319 3825838 2884711 6272710 10321147 8370474 8406725 4296742 4780756 2247139 5676113 8935814 8990640 20407158 4896683 12004548 10583387 7260972 8568754 3578037 20139026 15315822 17782460 10346677 10251682 25717842 19277990 3091321 9746914 7781460 17647469 10371804 7977409 29389761 6836358 7837712 17074091 8947118 6115759 9367844 5446557 17052339 9505375 28081304 23190994 6540985 6563173 6838807 4640732 18064827 5572306 6524893 6839688 9344319 13320283 11516274 7433908 19134884 23564544 8511770 9606878 15463696 6633624 6889637 2408571 9839122 6653190 11649845 11029486 9039562 7728420 662418 943510 1010819 2170509 sn-Glycero-3-phosphate 69972 56603 50698 96137 59448 53901 62814 53369 106554 117288 151263 44035 69420 44044 56809 46760 83935 83922 30875 42726 42929 28070 35032 20403 13708 13264 17235 16025 19153 14427 17611 21112 17854 16071 14848 15644 43178 42686 25791 48080 33831 11481 22170 14204 21623 16587 21192 14135 9695 12535 15787 27628 16532 12921 22629 37783 34400 30742 15124 26266 9959 13169 16989 18124 11548 8972 7106 16338 12102 10072 7960 10246 45500 23441 28210 26141 19543 30506 21578 25493 29744 49161 45452 19605 32130 27356 38803 40472 62816 246 4332 2918 40471 sn-Glycero-2-phosphate 196 180 317 135 82 0 172 95 0 139 42 209 288 0 157 69 217 149 222 114 184 0 280 0 0 274 199 0 95 0 151 211 260 301 321 181 0 0 0 0 0 0 0 440 0 0 0 0 524 0 0 0 0 0 0 0 146 0 0 0 338 0 0 0 0 0 0 0 0 0 0 459 0 1541 0 273 403 0 790 119 0 166 0 767 0 0 240 67 216 0 163 265 148 Phosphoethanolamine 7503 5841 9311 5341 2372 7365 4976 2804 6717 9600 10284 2366 5286 2695 2722 1921 2538 1774 5572 8113 6267 2383 4507 3086 2103 1043 3616 2283 4150 1656 1481 0 3612 3607 1257 1952 16823 10592 17652 17386 9425 2866 5773 7181 10571 3605 8619 4480 0 5453 8969 13818 4713 8052 3914 6537 2584 4779 2967 3795 3104 7568 3182 4949 0 1592 1026 0 2647 2382 0 4284 5694 5881 5184 7636 0 2952 0 6070 3104 1571 2829 0 0 3888 2605 2608 3577 0 1362 0 2095 Phosphoric acid 9329498 6534369 8174610 13135797 6392309 7101119 7793332 7333164 4038860 4510825 7133706 8906992 7221851 7830352 6352971 5148140 5854790 5788557 16935131 20107571 14147384 10498963 10586527 7038431 9931499 13848110 10973941 11310295 8030301 8530484 14969044 13437846 15086723 13985729 11637495 14241632 11127514 13207146 6116680 10449264 4451511 1528290 11981179 4862338 4381419 7222681 11315662 4776691 6427190 7558150 8422916 6724670 10752152 12591463 6184967 10056137 9556740 10673854 3420313 6218115 9589522 4665065 5399353 5469210 4713727 4475470 5427316 6759463 5594935 5940262 5412864 4437280 4383802 1890872 11492108 7007649 5977440 11397449 1497508 7284666 7938122 5862689 11020954 1533263 5190260 13240029 6161690 8259381 10049926 0 5110 4967 8721256 Pyrophosphate 177121 62991 328093 380839 91030 72750 65559 135824 48255 49958 141578 153062 302108 341794 37383 25684 69998 24448 254235 592660 47435 36306 126929 90934 25821 73496 44442 71287 69097 66691 328059 72319 95112 228525 76802 192794 196926 688523 243339 195371 82247 44202 277443 39896 230762 49788 111570 40315 19724 39340 64538 82458 87206 167428 84644 1013957 123511 121627 36157 234477 40270 45837 34271 23648 25537 22141 14393 16553 29213 30204 12295 20012 26609 0 790263 112995 51413 42187 0 79598 47348 15539 485354 13237 59138 740350 27432 347645 399663 1229 12095 0 105903 Hypoxanthine 32825 37647 11191 7866 33279 13554 11680 7548 47611 41715 34648 4202 2614 7677 4748 6104 7771 2988 60767 27741 31937 45048 13344 14975 26661 29485 11195 32093 15498 3627 2519 11200 12854 7358 10932 13532 47155 52425 28934 38318 19980 34718 1367 10998 0 5901 7808 4081 10255 1787 13473 3925 6312 7172 13876 0 27453 11197 14451 12895 0 0 0 0 0 4634 5143 1378 5791 5853 0 2585 4257 3231 4209 0 2891 1508 0 0 2484 1660 798 4097 0 0 801 0 1678 6025 404 10496 21805 Adenosine 25779 25023 33146 76749 34616 41827 31535 31654 30507 41860 41698 19441 23762 17487 40316 40936 57299 45407 26669 12308 119433 498094 19553 11411 22586 16370 71730 22826 12539 57197 19812 30218 27673 287970 26420 18012 39664 31708 49097 71558 45955 40043 44035 38908 44946 26858 23298 30632 36081 56622 23516 35359 23980 19836 21493 32125 385985 540057 20452 26140 37929 39400 258071 289175 18515 18288 21709 31270 32715 23029 26379 55051 23709 45255 85028 54203 45837 2970 32089 42947 47506 79758 2157 36331 31658 228714 78113 38306 10096 0 0 1928 54957 Inosine 59443 80122 45614 37351 60080 67812 46724 36362 113301 111481 104832 18963 21113 16420 19129 11723 45107 29218 8262 6064 10373 8622 4328 3244 11534 12463 5310 10853 3782 3461 12890 14324 5198 6084 6533 6849 11483 10347 5149 13431 4979 4286 6094 3085 0 7881 5190 5558 3031 6259 6630 4329 4657 5845 6967 9203 17200 22630 2314 8939 2858 0 14087 8350 5414 5554 3648 4294 4973 5463 2625 5571 7091 7340 15408 13903 4702 1437 4200 8659 10024 12134 8641 0 10054 18422 12148 10174 9237 1066 605 713 27329 Adenine 329647 309733 180242 169387 219060 228137 97270 167847 288720 281756 299391 92040 54726 22594 75252 44100 94102 94474 221238 207608 217586 200623 132923 122867 98363 103390 95663 98523 113627 47966 47275 73631 103176 69481 63848 70308 267136 266490 178319 279675 143004 39258 53089 40009 104567 82258 63524 56552 41157 83069 97357 103438 89320 72369 168400 227435 208426 171827 94077 134763 43559 45348 66806 72529 41097 53084 17514 48579 54795 45570 21642 30155 69420 49628 58549 132342 45746 0 16857 0 67141 93771 1567 9865 71727 4575 52502 1221 443 3104 1679 2603 134614 Thymine 23761 28550 29664 38898 30108 30414 33689 28115 39953 25766 46040 23074 14886 11293 19963 19150 17488 27407 53514 61511 59233 70426 47319 27079 39291 41710 42617 39577 22960 24203 35802 36255 41878 50588 37731 44544 30805 29583 34848 33307 25335 21551 24182 183995 30738 23783 27133 19641 16526 38441 16637 1467892 20614 21465 19306 36081 20544 28577 12337 18592 21474 0 27466 21682 18418 16219 16111 25999 14931 21740 16102 22747 14955 24147 24355 19351 22658 0 0 1325 17875 18163 1854 0 9555 25199 18182 2935 0 1852 3999 1096 32713 AMP 891259 779761 355543 223620 522492 364124 305935 989552 825249 1094040 1603376 422791 1169433 509103 181855 26587 370223 747756 861777 488612 366895 530741 263325 311625 197782 329635 278923 404795 383613 108392 167200 132746 656957 359235 104779 208983 525078 741766 387064 698851 211460 28007 399205 64272 144644 325752 310223 334038 43993 291930 380203 320630 446892 450829 131555 672446 509114 349688 81035 253146 81271 120024 197566 275001 95232 94555 38786 127486 122468 199383 26702 30578 146073 15083 104903 188551 10341 9695 29842 54545 130236 398069 433897 58724 272280 89358 233536 119005 252754 0 4634 7348 649049 IMP 29492 19010 10727 4620 11389 27952 10616 9510 34406 49389 37589 3979 6447 0 6240 0 4606 1883 14949 10725 14752 8258 0 7753 2427 8051 0 3758 0 2719 2084 15931 1449 1425 1130 7998 3653 12955 4238 24746 0 0 7603 0 8078 9359 2358 4387 0 0 11822 26966 6878 3600 2301 18893 12243 0 7372 14085 7124 0 3217 4049 0 721 0 0 6103 0 1557 0 14334 5228 12748 0 2090 1739 0 6195 0 0 14165 0 0 0 6628 0 6325 0 3770 1310 6298 Urea 1157685 2062735 1518294 673011 1237212 1881883 209224 246002 205616 211853 119848 295306 242943 201165 215670 111137 81267 51570 3751203 1567132 896817 3649746 2373245 2357472 508851 236053 499238 139740 421025 300160 437265 692136 382257 758426 410493 436484 3238647 2802872 2391094 3532625 2291934 1080197 485070 367121 2192266 485391 485527 407934 254182 312517 414973 1039334 441933 479180 3662047 2731388 4706587 5067730 2245102 3042512 268052 1179623 598607 404726 312946 380861 155286 694882 250501 463317 198136 338455 1424436 1990330 1399469 1538535 1752525 157623 796371 633904 239753 333842 199924 885624 291245 289222 294872 272924 337441 823202 340302 228689 593620 Glutathione 86589 18962 59585 55267 24461 0 28364 59011 16246 10136 21546 47120 146219 36947 11078 0 28514 14112 112088 102730 12388 12428 32732 43987 5632 44697 8056 24049 45100 5828 29075 14042 38078 33847 14169 25021 5072 14960 4019 4405 0 19947 5405 1233 0 3805 6082 4133 0 0 0 4538 0 10956 4506 52176 0 6728 2160 5526 3663 1909 0 820 0 1458 958 0 0 1166 987 3405 10086 0 15049 2280 2919 7774 0 3807 0 13912 55211 4428 7463 14208 5088 25316 51584 0 5314 1110 16040 Vitamin C 624208 379506 1542296 929428 396393 998419 615652 456670 375961 339884 364004 559039 277450 410389 533020 410080 197579 333921 0 8506 1655 3016 4077 153 2606 2870 2906 2847 188 6429 3440 2467 7595 22707 0 5170 4711 0 4474 7045 1918 279 2246 0 6841 0 3612 395 0 438 1331 0 1718 5118 5680 0 7451 6185 5478 2113 1796 1159 293 0 0 0 0 1750 1682 0 0 3049 0 0 2620 0 1122 0 1227 0 1569 0 0 0 2940 12251 0 3084 3679 109 296 146 419721 Allantoin 3052 1454 0 5236 663 10176 6793 1192 0 0 4847 3433 947 4507 8212 9366 10188 8775 0 788 995 297 442 1297 0 0 1085 2150 388 1005 0 481 1784 2008 1705 1673 1432 0 0 1329 794 0 1998 2680 0 0 0 868 1533 2147 839 0 1437 0 0 0 0 1243 0 548 275 0 0 733 0 903 2201 0 1239 0 1325 0 3307 7887 2410 1282 0 0 0 0 3121 1918 2887 0 2989 4607 2207 1884 1456 0 0 150 1996 2-Hydroxyglutaric acid 21643 29344 44010 38487 25620 12826 149169 211170 141601 70045 290245 114617 219060 159153 95919 74972 264072 87172 451 0 614 0 259 767 1643 2143 1593 1639 798 2416 2269 3122 5557 5056 2564 1268 3912 3373 0 3526 5444 2279 6452 5489 0 22818 10640 7370 5629 6985 7078 8259 35540 7917 2921 11407 36402 18319 3076 6119 27125 5772 87405 35248 15966 9493 9851 38267 44722 30385 19991 7047 17883 14647 44093 31436 24783 175019 32595 128081 112375 154113 98420 14413 77440 291658 98525 155219 80290 589 0 0 57783 2-Hydroxybutyric acid 490522 279244 984768 577881 256257 751729 506621 445731 263659 209915 311397 385045 345511 381669 229027 499954 388040 260938 643804 345760 261240 457996 673669 593896 392871 419201 465803 220394 334551 322121 533306 866346 291290 684792 579602 306314 35268 55212 350586 371274 393696 472978 240450 327594 411432 117700 285421 89067 253635 263808 112839 378568 148759 62370 50124 193620 57838 324512 106001 275279 92289 340192 165205 176005 90695 173509 81376 234816 140112 216600 68520 272313 493665 619306 194437 282051 356588 223297 583580 714389 226221 1553854 252443 2577395 202011 331417 711600 214816 708382 551696 478522 575535 333224 Glycolic acid 938945 931309 1491742 1222489 988708 1260916 891184 1204912 1096423 1002640 1241234 1234309 802786 926619 714929 811343 982348 774143 1110846 1068716 818334 1218051 1230047 1052341 893297 1375293 1078039 1065756 777047 1139733 1054963 1234896 927679 1138270 975434 1030339 1606752 1232776 1325848 1531171 1416626 1532432 1073393 1215168 1741029 1065028 1065653 1468205 1014404 1391598 734628 1720598 830526 982374 1612341 1596523 1104645 1886041 1351463 1507420 1612179 1369510 2873007 2007826 1020675 1284008 1005434 1557575 1352229 1240555 1070005 1730776 877572 1394740 1252507 1025273 1366900 1746931 1383785 1702171 1127805 1549948 1190525 1426090 1060681 2252159 1481310 1325228 1778082 1040044 1013309 1666719 1078212 Putrescine 2805288 3771146 2656566 2377923 3039273 4359441 726513 867023 930723 805652 2484076 664610 634948 170963 993777 649294 1187187 1178296 4707074 2030642 2586838 2099470 3423466 2661102 965836 1052187 997309 1006412 572694 491526 479232 1935952 1027738 462622 1425565 506827 3153880 2287491 2259463 4084200 2028778 910680 650123 651705 2150314 490637 865400 248347 927342 1239584 935271 1009153 1444450 1390389 2174582 1811636 3327904 4160877 889308 2822663 795834 575932 608761 361894 379798 201481 596044 860614 643413 701386 468683 638943 2330969 1460435 1995916 2267397 2442097 395291 243454 184631 656611 421937 265760 169999 426130 334119 624965 216816 108164 0 1197 1544 1360242 Xanthurenic acid 8694 6321 5973 4902 5162 4912 5003 19010 24866 20664 32117 20397 27353 15002 2857 2494 13084 6601 3126 4934 4083 5273 0 3266 3159 6598 7527 6353 7907 8918 6660 2784 4187 5043 2525 4523 3517 4121 3642 6929 5681 5244 11999 6034 4635 9585 10946 10445 3459 3953 6196 2957 9890 8299 2956 3126 1063 3031 2672 4810 2396 8851 8201 7703 6891 7835 2426 4556 2527 4407 1122 2944 4302 0 2890 4746 3441 271 6517 12164 8156 13531 28432 6296 8238 8686 10059 7101 19316 268 0 977 10180 Glucosan 97014 119105 119243 131025 138845 108584 155626 96509 168027 144273 314207 120194 171530 133744 98583 58821 175398 162189 181110 249246 154563 132949 153814 125511 117133 197912 218865 181981 163810 164334 239328 238909 164923 246632 151136 220432 122232 167602 115714 157215 86959 40573 145672 70117 131522 89787 120676 43377 76218 102692 92342 101165 95924 127147 80949 125928 100191 109265 35868 89625 87341 72545 122403 50584 54238 40163 79255 86942 70761 68477 42564 71140 68481 82512 169416 95525 120222 149864 67427 117420 142941 115600 131792 43614 118317 302892 112271 146658 165178 0 3654 0 144034 1-Octadecene 78300 14498 93635 73186 21889 70467 50051 37583 13322 27789 29060 34742 25577 38178 41217 38186 21409 20569 69164 55407 34630 33858 82936 59748 46588 17104 53922 35115 31454 48538 24097 32918 26420 27752 52936 44292 144336 86159 93574 131168 122286 134619 82584 102319 164894 48103 55837 29312 33202 70804 52839 100712 40622 49020 77736 69834 55968 102786 55427 71479 67507 97418 95270 47010 37932 46153 32425 62349 48562 22193 46682 98604 79766 164501 77308 91507 88390 57579 69590 63136 21260 80643 43695 125321 40368 83767 67991 55945 98688 22439 20277 28912 0 Ketoleucine 38626 13234 103107 70464 24935 41357 31657 31076 11266 9497 17307 26093 21904 34707 17183 22270 23208 12505 37403 35074 15028 26980 60572 34174 26524 34695 40569 17777 22098 29522 55626 78176 21037 57484 42261 33066 14777 13756 30479 41559 27942 13286 24855 19191 38149 11833 25269 10963 6401 8522 11773 32774 14658 10258 20172 22791 11883 26030 16903 29674 0 18754 21531 7465 15183 17373 3814 32999 4556 13064 6455 17699 34722 60041 17581 24296 32734 15239 61479 65419 10999 55957 22415 155851 17630 19793 40534 20002 57733 49397 42409 45600 22825 Adipic acid 20680 16588 16936 39765 22649 27518 17052 16944 12066 26144 27678 21987 18689 11495 19277 18713 27388 16094 15988 18281 45872 17213 12022 11916 13396 19341 17098 12657 7307 17304 5393 9729 13528 9426 17552 18549 13015 24813 11600 27503 17733 15346 9748 13378 22066 27820 9153 5763 10678 10124 8968 13565 10593 13450 15156 9310 13142 10480 8594 6772 14688 16675 13919 8496 7374 7186 8215 11270 13369 7335 8685 20379 15259 26859 49783 28296 30888 19922 30125 23857 44239 53686 3792 22713 35485 51767 26803 22294 25432 8413 5874 6240 17116 Azelaic acid 163890 56804 148945 154063 67923 148999 51627 66153 51911 43643 53598 52625 62913 83509 49641 67311 62627 34087 96682 182702 82903 82350 115849 66346 53648 51643 56713 53528 44322 65832 67175 99413 73536 97966 61640 68795 257385 166783 243549 289826 196927 135555 172600 177599 337978 75588 119210 69176 134884 115225 106041 228315 83501 112414 129699 164643 102861 147093 90672 168797 107595 183228 157211 93002 59633 61594 54862 104541 66174 68234 62842 181153 107631 228156 143276 135338 137935 113174 156966 164618 76655 126058 68098 119770 52523 153838 105511 97198 133814 65102 23642 29081 46311 Benzoic acid 736259 573333 1899091 883412 474497 1062397 606139 647118 645508 611409 607409 721337 370769 545756 552188 498539 351940 386009 912996 636104 434089 711337 1055401 914463 834381 751496 707714 467233 496706 665967 777217 1140001 702751 882037 841428 559053 842702 548599 1135061 1295199 1234577 1232547 738990 1009423 1882932 788372 785765 633051 780985 900356 527984 1384955 515490 559097 1046343 777372 587577 851388 683872 927667 754063 1941431 1099981 550074 556937 644624 393471 1002683 502101 581437 482164 1070409 801723 2544425 612686 1005495 1213718 670859 2058392 984460 612974 1518277 451712 2147214 621704 790897 885917 592043 833708 1486218 1781743 1935795 484723 3-Hydroxyisovaleric acid 6279 15759 50066 15118 11606 10574 13158 16438 23216 16640 24063 12316 8228 6633 8487 5358 7288 10548 18606 7940 2183 19980 20669 13976 12440 19587 11037 10127 10978 13473 15995 11523 5568 9927 15975 13029 10291 11273 5771 17772 11195 13615 2918 8866 11345 10755 7151 11722 12225 12175 4201 21793 6637 7281 14146 23071 14632 25922 11696 34060 6937 28378 12236 7323 8029 4977 4994 13263 0 9693 6632 9265 5616 35971 4574 13586 10031 5028 25435 9870 9049 21459 7946 23711 9881 7784 10477 6292 13469 32318 18946 29301 7431 Cystathionine 84377 142100 63992 55664 75171 78049 59500 41784 88547 54957 444193 18235 27325 10312 108345 56021 66570 324033 34543 3688 8378 17997 34151 22782 11076 4979 0 7560 70122 14505 9551 33888 12829 30103 25057 16101 63600 50200 45111 91036 31016 63456 14757 34086 117859 0 20166 25479 7299 19063 22170 20896 20964 16737 114907 15061 145754 129652 31497 137315 8535 79999 13309 5634 15183 3783 2040 6065 22160 5846 40624 68491 48027 137541 2050 21402 18252 3900 131918 0 5773 3826 0 126747 17141 8891 16434 7222 12840 0 0 1872 88410 Eicosane 217848 63916 123022 285933 115269 229030 89054 156546 28601 45382 53463 75533 133208 89050 68864 86205 67425 41227 41448 54795 22103 57226 92429 94796 47800 33614 51960 33742 57183 39737 31202 43355 27387 20592 36369 21754 296777 143762 264168 329807 308121 891157 67660 180813 358628 162655 94746 171967 134515 93885 99015 217427 88924 33392 43704 231306 76060 96166 48715 32635 109420 201244 230477 73093 30741 91602 40759 68696 54207 62818 147570 34188 78396 153579 67931 302848 75315 125743 103289 228877 36013 174029 16422 237180 43512 159272 107786 141333 770375 0 24131 24484 11415 Ergosterol 258974 552588 404092 123877 40143 621685 194739 52420 96335 939181 151917 40387 401626 86377 147596 100567 81044 34010 101320 59816 220872 41301 48418 86566 45254 8551 23250 13721 146723 43208 21381 22877 40556 43269 18378 10668 42951 40222 94351 118327 43803 22852 4463 149251 6154 51356 79674 29109 107701 229392 91266 385264 71553 87526 42012 85008 25107 64506 6958 7353 105917 87839 107028 153875 11896 22339 22524 20682 86077 26594 42676 180897 52269 21679 50952 241045 50600 120818 20529 157597 88298 26574 49394 18577 39492 328323 53852 185239 180679 0 289 464 34922 Ethanolamine 5404531 2640285 11057988 7271342 4529770 8861450 6368913 4146754 4534290 4823542 4310986 3762489 3372369 2975491 4047766 4251621 4146125 3847678 7237774 5025437 5467808 6490624 9672786 6749785 7822678 5569239 8136783 4995132 5112764 7124613 7849500 10473133 6443752 8257802 9288048 6391786 7211194 5541049 9941013 12608609 10255650 12255638 6479395 10493637 14904522 6406557 7878142 5031613 7965187 8168354 6193015 11582519 5931703 6455775 7788728 4536009 4996560 6473925 5300758 7043785 8766354 16151974 8293130 4022373 4206015 2129570 4562672 6753767 4854380 4959960 5478716 11304616 6179180 24578716 6151593 11069203 11727713 5835619 18520785 7251733 6864894 6040905 3515904 13123251 5879137 7173701 5810827 6275532 4909306 3807202 4649829 4712615 4646915 Glyoxylic acid 375871 175511 818395 496172 231732 545859 415689 287941 192297 194311 229147 259957 300579 309384 202690 228117 196749 212533 295384 270273 201400 262016 541198 375202 301726 239027 301661 221866 235803 262422 325439 457109 274732 438261 356253 253239 94105 93414 176216 197123 219804 237447 154192 209577 263117 83160 143196 92428 140913 145766 101958 220300 92486 96915 147763 143266 86094 124466 109220 151237 184747 243643 219379 81283 87126 65715 90837 127998 100650 109286 94597 177597 262278 398254 123158 158492 199724 57899 325481 299060 135359 520199 133174 853649 135375 157164 399172 162123 262712 137145 190171 194186 173036 Guanine 14396 17829 15232 8907 12674 10290 7439 10664 16671 19875 28719 9030 5072 3624 5409 2894 11581 10071 16293 0 53684 113992 10013 10988 8332 7117 17607 10069 12387 3905 2243 6421 13249 29098 4010 3333 25904 29417 22979 48742 17604 5251 6893 4839 28016 10441 8559 9968 6196 11352 11359 11083 8976 10643 9340 11056 85334 98222 4868 9991 5208 0 47296 60323 2656 5794 2100 4890 4890 6973 763 3019 3024 7494 1391 3214 3057 0 936 0 3961 3590 443 7161 5160 192 2178 0 0 0 0 420 18316 Heptylic acid 1253837 360590 1581410 1075533 562180 1463850 709359 593871 329636 375364 368804 529858 486076 809746 531323 724728 590568 338834 759471 1394091 621653 752272 1171445 1049384 873127 743497 813474 486908 599517 749140 928259 1558617 1072563 1074349 1022786 714921 2594561 1364694 3096084 3548727 2765686 2666993 2717210 2777736 4973366 1149763 1783205 867209 1869220 1795610 1723511 3266311 1253764 1464314 1481270 1430229 547253 971961 1139129 1631248 1567423 3373379 1852815 1151108 863996 1007660 676946 2070811 1027277 1093732 927156 3219178 1154418 5273633 1081242 1418299 1647174 1431350 4734784 1926967 1070806 1598584 694463 3700173 735870 1328435 1179228 1143227 1309501 471924 493790 487276 393494 Homoserine 523579 454715 523192 931430 656327 527406 478573 552666 590369 66317 708239 589616 1148297 570623 288905 328024 974631 634123 276290 672192 342615 275645 432533 267604 32380 188494 37114 221350 193203 129280 338112 232550 192900 172682 172303 263761 32380 41118 204177 248738 122820 103029 163965 87165 41401 53869 156615 21807 151753 12849 69875 40558 22503 47628 234364 44852 293171 299181 46159 74362 37683 0 147018 56895 29162 29826 7835 52613 66495 33683 12666 56307 190696 16984 269970 72706 56100 152880 20631 140936 0 403463 444784 96376 122370 166806 357437 25993 387293 57648 2715 9389 297002 Lanosterol 41138 26584 29690 18047 5539 84703 5030 4454 5687 11566 7361 3352 9000 6959 4189 6012 4200 2604 9718 9199 14106 3574 5452 6320 1442 0 3290 1144 3434 1378 0 1913 3205 2498 2023 946 15706 6797 12985 21472 6429 10396 2506 4758 7289 0 2740 0 0 2501 4031 7469 3479 3056 7006 10299 4166 8775 4192 2613 1647 4272 3409 2958 321 1885 0 2224 1679 1744 0 2838 18866 12693 15336 32455 18161 9630 4088 29557 9829 18624 10366 5926 7337 12277 8358 6439 21746 151 269 321 3625 Lauric acid 285837 600974 726341 580684 209843 466902 430636 224874 802519 832778 851868 248821 144611 116562 261767 343383 252644 103783 227645 115772 253116 332326 362925 226641 286130 127299 327490 144005 193661 211509 150087 257939 121323 162449 174102 116986 414470 258736 407256 635125 662177 892005 168820 465265 501377 365630 243279 330912 405630 417731 228660 512325 148328 165133 299633 396195 270466 419822 280738 271290 280533 528891 468735 348960 198164 275674 195559 407362 318604 261140 312365 463189 234254 662482 232138 474043 411444 456902 665431 315089 246495 410531 153697 565056 425027 311318 291882 228334 487016 155936 202850 241931 110839 L-Gulonic acid gamma-lactone 453129 318186 1181075 611197 277993 1739660 467156 397266 307131 582430 365921 454633 184966 378259 886787 345853 301013 293390 18076 35601 3881 2375 5761 2921 5633 15996 8920 9533 1485 40763 34468 11751 39177 101195 12456 29249 0 9270 9068 16332 2037 3498 12918 1036 7771 3145 5751 1277 5484 0 2433 626 3770 8937 2560 8608 24034 20264 1248 4539 347 1659 1835 1644 627 0 898 770 12418 0 1031 3200 0 0 13508 10555 6098 9592 0 19099 3831 1983 25255 2038 14281 56953 8063 23517 26000 176 406 1217 292179 Methyl beta-D-galactoside 38615 6933 32180 33578 21216 3061 0 9540 15501 0 25132 0 24999 20052 2944 0 31841 3418 97692 127437 87815 13054 0 22093 1554 8924 8183 13560 4902 5816 16276 11165 0 4047 8417 7696 0 87627 0 0 0 2523 12395 0 0 0 0 0 0 0 0 0 7490 4641 12548 65782 28572 36064 17136 6175 0 0 0 0 0 0 0 0 7007 0 0 1521 32204 10504 31036 7721 5700 11272 0 15550 10616 11758 18380 0 0 4673 0 0 19985 1375 1276 1887 8991 Methylmalonic acid 10545 18573 12401 7536 15227 15296 29230 19124 48631 27336 45037 24296 21286 16776 23599 18316 27078 40010 41515 31367 28473 45622 30659 25834 25412 26573 42779 27309 27840 20487 21746 33176 56659 47747 38626 30224 66773 58176 42678 63490 49421 21823 30534 42603 34098 78523 49579 49812 50961 79069 54048 78053 54202 61099 35004 26186 20832 25089 21195 19301 75086 64551 74543 93234 55945 66370 53413 90396 56420 67834 46989 72700 12539 10518 14628 12124 10837 16526 24418 20558 45696 39053 24183 38021 41259 37256 39485 25873 28762 0 1922 0 34786 N-Acetylaspartic acid 2612 1558 0 3999 2979 437 0 1933 0 1265 0 0 590 2222 806 488 1469 0 10843 1296 7623 5439 2317 2235 0 195 2601 0 0 0 1044 1389 0 0 0 0 0 681 0 0 923 3244 1436 3986 4888 0 0 0 1155 2633 212 0 369 0 0 2040 2231 5554 1423 2466 0 0 905 2680 0 0 346 0 0 258 2050 3717 5432 0 3003 1154 6435 0 5105 0 0 9786 573 7119 0 0 2940 3317 2385 0 573 297 0 N-acetyl-Lysine 442339 37924 219944 616328 67296 80556 32248 109824 17285 30145 36953 146230 173299 38229 23480 14802 108047 24377 1122522 1466092 1029937 227123 268502 199394 40034 126355 43392 145133 92052 106656 128761 146351 126725 121530 72032 142775 70975 1098208 93369 88466 64804 33417 156386 19574 167528 11294 62959 11570 10904 8316 13032 13179 26174 50911 56488 772697 36886 71526 26163 95240 20634 30872 16320 7212 14981 8532 14773 25810 13437 19860 7895 19984 421748 93356 915432 100738 68842 15061 34888 38491 31729 153119 46439 35047 58766 12803 119643 13773 15786 0 124 0 179627 Niacinamide 1331295 2652765 1333563 1119394 1827684 1769373 2030751 1540841 4010738 3199496 4465555 741554 382287 209237 2060058 1397480 972066 2717761 1885651 926305 773649 2027033 1484703 1128057 1318666 1322998 1767150 1119201 985565 720925 577982 1257885 1187982 907166 1218293 735848 1812126 1712432 1187380 2403423 1561159 778676 696016 1392380 892992 2058457 1219232 1387440 1463825 2376451 1649608 2156939 1486172 1464408 1372525 1210993 1798604 2550567 805474 822333 1810859 1654462 2057175 1872447 1301895 1221257 1317571 1776816 1870155 1848032 1218505 1234094 917100 881680 948005 1160740 1087202 587838 740696 465757 1942179 1289292 302581 482718 1080906 691741 1349694 432521 211458 7625 120144 5359 1309018 Nitrous Oxide 3948915 1804327 11303304 5216503 2804104 6817325 4011861 3111759 1778041 1034694 1572432 2405732 2217009 2085200 3092158 1836788 1651534 2245526 5296526 3009964 677355 1866036 8184945 5852888 4853602 4578739 3988838 2984888 2846590 3587704 5755376 7404057 5239577 4233801 7752427 4525194 5470030 2718014 9318832 8420147 8899034 7399580 6510664 6677615 13117183 3303907 6583870 4493944 3300816 849349 3287817 6712889 3901985 3546437 5065750 5349616 1448401 7095974 5186378 9332482 6585361 17853546 6280771 4017092 4772764 4266635 2974928 9564589 139447 5595032 3775878 6307845 5932795 20487609 1707080 6269843 9128960 3850982 16745645 8515530 3522736 4113665 3391290 17226047 2225027 1118433 5867211 3676992 5632122 6456838 6360473 7202681 1001998 Orotic acid 1611198 2054574 958973 1014994 1494583 609351 207822 156517 630172 427461 719351 41072 48654 23839 53419 17442 281720 69552 1618711 1532342 1419951 1088496 574431 760475 170782 374507 202353 251420 209937 21651 35788 73729 268165 212175 141408 184901 1465284 2251320 903089 1311353 535244 181280 215667 72225 573346 144537 174263 23281 11689 32106 171294 116973 210124 157305 734381 1107520 1204534 1161908 348200 953261 63323 98179 97942 89337 78187 13639 6211 34529 66034 102661 49872 23495 322879 62311 550882 349857 213421 2718 13093 5963 28487 23250 5926 0 17918 16798 17553 17374 6088 0 2168 161 433706 Phosphatidyl Glycerol 487945 218355 370204 308202 206807 224063 161074 446340 226454 38767 442953 325375 328831 384589 73713 199954 361210 200949 374 2366 925 0 1223 0 324 189 0 346 0 1228 0 1870 0 2881 621 0 1203 646 882 1623 0 4636 1685 0 5677 0 668 482 3631 0 1431 2384 0 407 1227 2663 1684 5741 0 3177 0 2028 1046 523 527 451 0 725 0 446 0 0 0 3144 1078 2027 0 0 1527 0 519 1989 0 0 0 2540 0 0 0 401 805 0 99334 Ribonic acid-gamma-lactone 53581 61173 63836 113132 71530 50764 56613 97394 62824 41974 75610 79856 126313 70800 32344 38981 122138 79640 40642 76026 42262 41261 59781 31759 20635 25167 17762 24458 14638 18608 34702 26675 23605 24348 31154 32716 8120 21541 9141 13566 7981 6562 2346 4812 14578 4514 5472 5047 2598 5319 2594 2824 4349 3540 9800 11279 14181 14398 5243 8342 5452 8994 4618 5591 3174 2156 4713 5991 5838 6318 4978 5457 22388 9625 39924 16540 17366 19932 9354 26569 18798 51115 49667 18758 18452 32263 40504 25097 60617 243 0 0 34537 Sophorose 434347 0 92709 189047 0 170114 69217 401164 94824 218117 260840 148745 246673 321456 19677 121167 198996 103684 22537 122718 48127 0 0 0 2768 0 0 12152 0 0 25854 0 0 0 0 0 0 0 12976 36199 0 3085 0 0 0 0 0 2523 0 0 0 0 0 0 0 0 4669 21448 17885 0 0 2824 2545 0 0 0 0 3405 0 14034 0 0 30084 0 77790 0 0 253709 0 8770 0 0 289649 0 0 102388 0 55367 122107 2234 0 355 195744 Sucrose 18159 27996 27639 26117 6835 11153 243506 11960 149240 66546 0 21540 15070 20665 2195 16665 41229 95749 1207105 3640405 785849 206722 900541 476836 701228 1707164 836059 1712702 722342 2058275 2302647 1411773 1192817 2141487 894545 1826985 1239040 2854364 1247332 1792418 619244 358684 2337986 183274 1614357 415945 1328448 112301 980233 496658 870704 468512 958083 1601777 348923 1734752 918707 1120650 222122 634444 723604 165662 421588 266247 377422 76737 324006 134207 817569 259418 295107 424008 574574 380804 937651 897278 429073 1242874 244957 1282167 536489 716628 754668 364076 550521 1508989 500896 889488 1341988 3004 3757 350 892641 Trehalose 0 70859 0 12098 158628 19667 5987 56814 12249 0 14427 19873 8710 0 242580 0 0 0 12287 13816 6783 0 26251 7330 3388 0 0 0 0 6456 15439 0 5466 0 8771 0 9391 28355 23369 17519 46943 9775 28023 10285 26781 11201 22784 8169 5029 17573 0 17847 2033 0 4531 95482 81983 86092 10029 17146 13792 11007 67976 5018 15677 4852 6261 4212 13673 38124 11465 0 1162303 389365 1975319 1817926 489807 1353084 297436 1508171 1850556 1578628 1772164 283217 1195899 3229732 3401616 2925836 1347603 0 0 0 11264 Turanose 1421111 965919 1322920 1729708 1592424 274042 155578 3183088 106494 82797 257637 2139029 2165963 1372259 2992977 2459234 152529 1637250 21009 27283 12775 6907 402129 14358 20450 24941 30814 28229 446794 34628 38399 48140 28101 25702 30251 37082 187646 214539 118118 199506 252347 42517 65047 48929 166846 64451 63336 23596 29359 50943 38298 43861 39720 46947 201289 360596 230595 240047 228583 85083 70809 28274 167376 72812 47868 40061 24329 51837 41472 38560 17825 31293 3018402 1888062 4397607 4803268 1086699 3397618 1450821 4400754 4924554 4336691 4659080 1283591 3255332 8790126 9122301 7939602 3551303 179 402 264 721186 Uracil 443528 598329 667127 737869 608601 700050 1802889 1233878 2579500 1721705 2596954 880244 564604 515698 1447703 1402121 616071 1625899 1538710 1146940 1876362 2042739 895328 717716 2127047 1948914 2783712 2187351 1953436 1483763 1680734 1949661 1953497 1775597 2006310 1978825 1877637 1803838 1246500 1990252 1734805 1035748 1702016 1892632 1085173 1817981 1771778 1391772 1670659 1972114 1737320 1922763 1430074 1534119 757862 945202 856793 1189398 725671 630696 1730396 1666205 1926805 2120386 1284131 1389725 851157 1211604 1654923 1413630 1021283 1426243 270832 538757 435620 608999 656135 27522 563155 36960 689436 485823 100213 214425 677480 781995 671051 192548 59311 126376 12624 34865 1585168 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem ChEBI KEGG METLIN SMILES retention_index dilution_analyzed Glucose 5793 4167 C00031 133 OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O 17.46 50 Glucose 6-phosphate 5958 4170 C00668 145 OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O 21.443 50 Fructose 6-phosphate 69507 15946 C00085 5159 OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O 10 "Fructose 1,6-bisphosphate" 172313 10 3-Phosphoglyceric acid 724 17050 C00597 150 OC(COP(O)(O)=O)C(O)=O 16.525 10 Phosphoenolpyruvic acid 1005 44897 C00074 5264 OC(=O)C(=C)OP(O)(O)=O 14.125 10 Pyruvic acid 1060 32816 C00022 117 CC(=O)C(O)=O 6.707 10 Lactic acid 107689 422 C00256 6150 C[C@@H](C(=O)O)O 6.845 50 Citric acid 311 30769 C00158 124 OC(=O)CC(O)(CC(O)=O)C(O)=O 16.646 10 cis-Aconitic acid 643757 32805 C00417 5130 OC(=O)CC(=CC(O)=O)C(O)=O 10 Isocitric acid 1198 30887 C00311 3328 OC(C(CC(O)=O)C(O)=O)C(O)=O 16.614 10 Succinic acid 1110 15741 C00042 114 OC(=O)CCC(O)=O 10.517 10 Fumaric acid 444972 18012 C00122 3242 OC(=O)C=CC(O)=O 10.949 10 D-Malic acid 92824 30796 C00497 O[C@H](CC(O)=O)C(O)=O 12.81 50 Ribose 5779 47013 C00121 313 OC[C@H]1OC(O)[C@H](O)[C@@H]1O 19.565 10 Glycine 750 15428 C00037 20 NCC(O)=O 10.464 10 Alanine 5950 16977 C00041 C[C@H](N)C(O)=O 7.471 50 Valine 6287 16414 C00183 5842 CC(C)[C@H](N)C(O)=O 7.292 50 Leucine 6106 15603 C00123 24 CC(C)C[C@H](N)C(O)=O 8.297 50 Isoleucine 6306 17191 C00407 5193 CC[C@H](C)[C@H](N)C(O)=O 8.576 10 Proline 145742 17203 C00148 29 OC(=O)[C@@H]1CCCN1 8.58 10 Phenylalanine 6140 17295 C00079 28 N[C@@H](CC1=CC=CC=C1)C(O)=O 13.564 10 Tyrosine 6057 17895 C00082 34 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O 17.726 10 Serine 3982 17822 C00716 9.711 10 Threonine 6288 16857 C00188 32 C[C@@H](O)[C@H](N)C(O)=O 10.231 50 Methionine 6137 16643 C00073 5664 CSCC[C@H](N)C(O)=O 11.848 10 Asparagine 6267 17196 C00152 14 N[C@@H](CC(N)=O)C(O)=O 15.009 10 Glutamine 5961 18050 C00064 5614 N[C@@H](CCC(N)=O)C(O)=O 16.121 10 Aspartic acid 5960 17053 C00049 5206 N[C@@H](CC(O)=O)C(O)=O 12.015 10 Glutamic acid 33032 16015 C00025 5174 N[C@@H](CCC(O)=O)C(O)=O 14.421 50 Lysine 5962 18019 C00047 5200 NCCCC[C@H](N)C(O)=O 17.678 50 Pyroglutamic acid 7405 18183 C01879 3251 OC(=O)[C@@H]1CCC(=O)N1 13.236 10 Ornithine 6262 15729 C00077 27 NCCC[C@H](N)C(O)=O 16.663 50 beta-Alanine 239 16958 C00099 5119 C(CN)C(=O)O 12.058 10 Iminodiacetate 8897 24786 C19911 OC(=O)CNCC(O)=O 12.502 10 cis-4-Hydroxyproline 440015 28397 C01015 O[C@@H]1CN[C@@H](C1)C(O)=O 10 Fructose 5984 48095 C10906 17.213 10 Mannose 18950 4208 C00159 OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O 17.469 10 Sorbitol 5780 17924 C00794 143 OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 17.934 10 Ribitol 15963 C00474 316 OC[C@H](O)[C@H](O)[C@H](O)CO 15.489 10 Myo-inositol 17268 C00137 5221 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O 19.395 10 Inositol phosphate 64838 C01177 359 O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O 10 Sedoheptulose 7-phosphate 165007 10 Glucosamine 1-phosphate 188960 16.662 10 Galactonic acid 128869 16534 C00880 3336 OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O 18.542 10 Cellobiose 10712 36217 C06422 3480 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 24.762 10 Sorbose 4629 27922 C01452 17.268 10 Threitol 169019 12.971 10 Threonic acid 151152 49059 C01620 5891 OC[C@@H](O)[C@H](O)C(O)=O 13.672 10 Pelargonic acid 8158 29019 C01601 5810 CCCCCCCCC(O)=O 11.139 10 Capric acid 2969 30813 C01571 336 CCCCCCCCCC(O)=O 12.414 10 Myristic acid 11005 28875 C06424 196 CCCCCCCCCCCCCC(O)=O 16.919 50 Palmitoleic acid 445638 28716 C08362 188 CCCCCCC=C/CCCCCCCC(O)=O 18.767 10 Palmitic acid 985 15756 C00249 187 CCCCCCCCCCCCCCCC(O)=O 18.885 50 Linoleic acid 5280450 17351 C01595 191 CCCCCC=C/CC=C/CCCCCCCC(O)=O 20.444 10 Oleic acid 445639 16196 C00712 190 CCCCCCCCC=C/CCCCCCCC(O)=O 20.55 10 Elaidic acid 637517 27997 C01712 3406 CCCCCCCCC=CCCCCCCCC(O)=O 20.554 10 Stearic acid 5281 28842 C01530 189 CCCCCCCCCCCCCCCCCC(O)=O 20.721 50 Arachidic acid 10467 28822 C06425 401 CCCCCCCCCCCCCCCCCCCC(O)=O 22.42 10 Arachidonic acid 444899 15843 C00219 193 CCCCCC=C/CC=C/CC=C/CC=C/CCCC(O)=O 10 Malonic acid 867 30794 C04025 3237 OC(=O)CC(O)=O 8.921 10 Unknown acid 7.881 10 Margaric acid 10465 32365 - 6578 CCCCCCCCCCCCCCCCC(O)=O 19.843 10 MG(14:0) 10 2-Monopalmitoylglycerol 123409 75455 [H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCC 10 MG(16:0/0:0/0:0) 50 2-Steroylglycerol 10 1-Steroylglycerol 24.975 10 Glycerol 753 17754 C00116 105 OCC(O)CO 9.947 10 sn-Glycero-3-phosphate 16.085 10 sn-Glycero-2-phosphate 16.085 10 Phosphoethanolamine 1015 17553 C00346 5233 NCCOP(O)(O)=O 16.261 10 Phosphoric acid 1004 9.972 50 Pyrophosphate 24451 14.873 10 Hypoxanthine 135398638 16.472 10 Adenosine 60961 16335 C00212 86 NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 23.883 10 Inosine 135398641 23.453 10 Adenine 190 16708 C00147 85 NC1=C2NC=NC2=NC=N1 17.106 10 Thymine 1135 17821 C00178 290 CC1=CNC(=O)NC1=O 11.611 10 AMP 6083 16027 C00020 5111 NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 26.907 10 IMP 135398640 26.472 10 Urea 1176 16199 C00086 6 NC(N)=O 9.603 10 Glutathione 3353 16856 C00051 20.069 10 Vitamin C 54670067 29073 C01041 3753 [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO 17.975 10 Allantoin 439714 19.167 10 2-Hydroxyglutaric acid 439391 32796 C01087 5581 O[C@H](CCC(O)=O)C(O)=O 10 2-Hydroxybutyric acid 11266 1148 C05984 3783 CCC(O)C(O)=O 7.85 10 Glycolic acid 757 17497 C03547 3219 OCC(O)=O 7.044 10 Putrescine 3434 17148 C00134 15.543 10 Xanthurenic acid 5699 10072 C02470 5841 OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1 20.892 10 Glucosan 2724705 30997 5613 [H][C@@]12OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H]2O 15.352 10 1-Octadecene 8217 16.39 10 Ketoleucine 70 48430 C00233 5663 CC(C)CC(=O)C(O)=O 9.043 10 Adipic acid 196 30832 C06104 115 OC(=O)CCCCC(O)=O 13.013 10 Azelaic acid 2266 48131 C08261 5750 OC(=O)CCCCCCCC(O)=O 16.389 10 Benzoic acid 243 30746 C00539 1297 OC(=O)C1=CC=CC=C1 9.598 10 3-Hydroxyisovaleric acid 69362 37084 5722 CC(C)(O)CC(O)=O 10 Cystathionine 439258 17482 C02291 39 N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O 20.419 10 Eicosane 8222 43619 CCCCCCCCCCCCCCCCCCCC 18.502 10 Ergosterol 444679 28.165 10 Ethanolamine 700 16000 C00189 3207 NCCO 9.879 10 Glyoxylic acid 760 16891 C00048 3213 OC(=O)C=O 10.555 10 Guanine 135398634 10 Heptylic acid 8094 45571 C17714 5636 CCCCCCC(O)=O 10 Homoserine 12647 15699 C00263 5687 N[C@@H](CCO)C(O)=O 15.112 10 Lanosterol 246983 16521 C01724 6108 [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C 10 Lauric acid 3893 30805 C02679 5611 CCCCCCCCCCCC(O)=O 14.813 10 L-Gulonic acid gamma-lactone 439373 17587 C01040 [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO 17.682 10 Methyl beta-D-galactoside 6403 17540 C03619 16.967 10 Methylmalonic acid 487 30860 C02170 3712 CC(C(O)=O)C(O)=O 9.09 10 N-Acetylaspartic acid 65065 21547 C01042 5776 CC(=O)N[C@@H](CC(O)=O)C(O)=O 10 N-acetyl-Lysine 17.042 10 Niacinamide 936 17154 C00153 1497 NC(=O)C1=CC=CN=C1 12.759 10 Nitrous Oxide 948 17045 C00887 [O-][N+]#N 7.717 10 Orotic acid 967 16742 C00295 318 OC(=O)C1=CC(=O)NC(=O)N1 10 Phosphatidyl Glycerol 10 Ribonic acid-gamma-lactone 15.077 10 Sophorose 88719 25.253 10 Sucrose 5988 17992 C00089 137 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 24.047 10 Trehalose 7427 16551 C01083 5913 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 24.814 50 Turanose 5460935 32528 C19636 OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO 24.872 50 Uracil 1174 17568 C00106 258 O=C1NC=CC(=O)N1 10.515 10 METABOLITES_END #END