#METABOLOMICS WORKBENCH grangel0955_20250502_084928 DATATRACK_ID:5879 STUDY_ID:ST003906 ANALYSIS_ID:AN006411 PROJECT_ID:PR002442 VERSION 1 CREATED_ON May 6, 2025, 2:03 pm #PROJECT PR:PROJECT_TITLE Neither Plasmodium falciparum Plasmepsin Copy Number Nor Piperaquine Treatment PR:PROJECT_TITLE Impact Hemoglobin Digestion PR:PROJECT_SUMMARY Malaria is still a major health issue in many parts of the world, particularly PR:PROJECT_SUMMARY in tropical and subtropical regions of Africa, Asia, and Latin America. Despite PR:PROJECT_SUMMARY significant efforts to control and eliminate the disease, malaria remains a PR:PROJECT_SUMMARY leading cause of illness and death, mainly due to the occurrence of PR:PROJECT_SUMMARY drug-resistant parasites to the frontline antimalarials such as PR:PROJECT_SUMMARY dihydroartemisinin-piperaquine (DHA-PPQ). Partial artemisinin resistance has PR:PROJECT_SUMMARY been linked to kelch13 mutations, while decreased PPQ sensitivity has been PR:PROJECT_SUMMARY associated with higher plasmepsin II and III gene copies and mutations in the PR:PROJECT_SUMMARY chloroquine resistance transporter. In this study, we demonstrate the effective PR:PROJECT_SUMMARY use of CRISPR/Cas9 technology to generate single knockouts (KO) of plasmepsin II PR:PROJECT_SUMMARY and plasmepsin III, as well as a double KOs of both genes, in two isogenic lines PR:PROJECT_SUMMARY of Cambodian parasites with varying numbers of plasmepsin gene copies. The PR:PROJECT_SUMMARY deletion of plasmepsin II and/or III increased the parasites' sensitivity to PR:PROJECT_SUMMARY PPQ, evaluated by the area under the curve. We explored several hypotheses to PR:PROJECT_SUMMARY understand how an increased plasmepsin gene copy number might influence parasite PR:PROJECT_SUMMARY survival under high PPQ pressure. Our findings indicate that protease inhibitors PR:PROJECT_SUMMARY have a minimal impact on parasite susceptibility to PPQ. Additionally, parasites PR:PROJECT_SUMMARY with higher plasmepsin gene copy numbers did not exhibit significantly increased PR:PROJECT_SUMMARY hemoglobin digestion, nor did they produce different amounts of free heme PR:PROJECT_SUMMARY following PPQ treatment compared to wildtype parasites. Interestingly, PR:PROJECT_SUMMARY hemoglobin digestion was slowed in parasites with plasmepsin II deletions. By PR:PROJECT_SUMMARY treating parasites with digestive vacuole (DV) function modulators, we found PR:PROJECT_SUMMARY that changes in DV pH potentially affect their response to PPQ. Our research PR:PROJECT_SUMMARY highlights the crucial role of increased plasmepsin II and III gene copy numbers PR:PROJECT_SUMMARY in modulating response to PPQ and begins to uncover the molecular and PR:PROJECT_SUMMARY physiological mechanisms underlying PPQ resistance in Cambodian parasites. PR:INSTITUTE Pennsylvania State University PR:DEPARTMENT Biochemistry and Molecular Biology PR:LABORATORY Manuel Llinás PR:LAST_NAME Rangel PR:FIRST_NAME Gabriel PR:ADDRESS 491 Pollock Road, University Park, PA, 16802, USA PR:EMAIL grangel0955@gmail.com PR:PHONE 8148673527 #STUDY ST:STUDY_TITLE Neither Plasmodium falciparum Plasmepsin Copy Number Nor Piperaquine Treatment ST:STUDY_TITLE Impact Hemoglobin Digestion ST:STUDY_SUMMARY Global malaria control has plateaued, with drug-resistant Plasmodium falciparum ST:STUDY_SUMMARY posing a significant challenge. Artemisinin-based combination therapies (ACTs) ST:STUDY_SUMMARY are becoming less effective, especially in South-East Asia, where resistance to ST:STUDY_SUMMARY dihydroartemisinin-piperaquine (DHA-PPQ) is leading to treatment failures, ST:STUDY_SUMMARY notably in Cambodia. Genome-wide association studies link artemisinin resistance ST:STUDY_SUMMARY to kelch13 mutations, while decreased PPQ sensitivity is tied to higher ST:STUDY_SUMMARY plasmepsin II and III gene copies and mutations in the chloroquine resistance ST:STUDY_SUMMARY transporter. We previously showed a connection between increased plasmepsin gene ST:STUDY_SUMMARY copies and reduced PPQ sensitivity. In this study we try to understand the ST:STUDY_SUMMARY biological role of the plasmepsins in PPQ sensitivity. Therefore, we knocked out ST:STUDY_SUMMARY plasmepsin II and III genes in Cambodian strains using CRISPR/Cas9, and found ST:STUDY_SUMMARY increased PPQ sensitivity, confirming these genes' roles in resistance. ST:STUDY_SUMMARY Plasmepsins are proteases that participate in the hemoglobin degradation cascade ST:STUDY_SUMMARY in the digestive vacuole of the parasites. Protease inhibitor experiments and ST:STUDY_SUMMARY hemoglobin digestion studies indicate that digestive vacuole pH fluctuations ST:STUDY_SUMMARY affect PPQ response, highlighting the need for further research into PPQ ST:STUDY_SUMMARY resistance mechanisms. ST:INSTITUTE Pennsylvania State University ST:LAST_NAME Rangel ST:FIRST_NAME Gabriel ST:ADDRESS 491 Pollock Road, University Park, PA, 16802, USA ST:EMAIL grangel0955@gmail.com ST:PHONE 8148673527 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Plasmodium falciparum SU:TAXONOMY_ID 5833 #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 - 6_21_ATQ_1_rerun Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=6_21_ATQ_1_rerun.mzXML SUBJECT_SAMPLE_FACTORS - 6_21_ATQ_2_rerun Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=6_21_ATQ_2_rerun.mzXML SUBJECT_SAMPLE_FACTORS - 6_21_ATQ_3_rerun Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=6_21_ATQ_3_rerun.mzXML SUBJECT_SAMPLE_FACTORS - 7_1_ATQ_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_1_ATQ_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_1_ATQ_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_1_ATQ_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_1_ATQ_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_1_ATQ_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_8_ATQ_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_8_ATQ_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_8_ATQ_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_8_ATQ_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_8_ATQ_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_8_ATQ_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_12_ATQ_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_12_ATQ_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_12_ATQ_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_12_ATQ_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_12_ATQ_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_12_ATQ_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_15_ATQ_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_15_ATQ_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_15_ATQ_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_15_ATQ_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_15_ATQ_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=7_15_ATQ_3.mzXML SUBJECT_SAMPLE_FACTORS - 6_30_ATQ_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=6_30_ATQ_1.mzXML SUBJECT_SAMPLE_FACTORS - 6_30_ATQ_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=6_30_ATQ_2.mzXML SUBJECT_SAMPLE_FACTORS - 6_30_ATQ_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone RAW_FILE_NAME(Raw file name)=6_30_ATQ_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_8_PPQ_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine RAW_FILE_NAME(Raw file name)=7_8_PPQ_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_8_PPQ_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine RAW_FILE_NAME(Raw file name)=7_8_PPQ_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_8_PPQ_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine RAW_FILE_NAME(Raw file name)=7_8_PPQ_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_12_PPQ_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine RAW_FILE_NAME(Raw file name)=7_12_PPQ_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_12_PPQ_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine RAW_FILE_NAME(Raw file name)=7_12_PPQ_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_12_PPQ_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine RAW_FILE_NAME(Raw file name)=7_12_PPQ_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_15_PPQ_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine RAW_FILE_NAME(Raw file name)=7_15_PPQ_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_15_PPQ_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine RAW_FILE_NAME(Raw file name)=7_15_PPQ_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_15_PPQ_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine RAW_FILE_NAME(Raw file name)=7_15_PPQ_3.mzXML SUBJECT_SAMPLE_FACTORS - 6_21_ND_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=6_21_ND_1.mzXML SUBJECT_SAMPLE_FACTORS - 6_21_ND_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=6_21_ND_2.mzXML SUBJECT_SAMPLE_FACTORS - 6_21_ND_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=6_21_ND_3.mzXML SUBJECT_SAMPLE_FACTORS - 6_30_ND_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=6_30_ND_1.mzXML SUBJECT_SAMPLE_FACTORS - 6_30_ND_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=6_30_ND_2.mzXML SUBJECT_SAMPLE_FACTORS - 6_30_ND_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=6_30_ND_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_1_ND_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_1_ND_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_1_ND_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_1_ND_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_1_ND_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_1_ND_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_8_ND_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_8_ND_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_8_ND_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_8_ND_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_8_ND_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_8_ND_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_12_ND_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_12_ND_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_12_ND_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_12_ND_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_12_ND_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_12_ND_3.mzXML SUBJECT_SAMPLE_FACTORS - 7_15_ND_1 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_15_ND_1.mzXML SUBJECT_SAMPLE_FACTORS - 7_15_ND_2 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_15_ND_2.mzXML SUBJECT_SAMPLE_FACTORS - 7_15_ND_3 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None RAW_FILE_NAME(Raw file name)=7_15_ND_3.mzXML SUBJECT_SAMPLE_FACTORS - QC1_rerun Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC1_rerun.mzXML SUBJECT_SAMPLE_FACTORS - QC2_rerun Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC2_rerun.mzXML SUBJECT_SAMPLE_FACTORS - QC3_rerun Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC3_rerun.mzXML SUBJECT_SAMPLE_FACTORS - QC4_rerun Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC4_rerun.mzXML SUBJECT_SAMPLE_FACTORS - QC5 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC5.mzXML SUBJECT_SAMPLE_FACTORS - QC6 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC6.mzXML SUBJECT_SAMPLE_FACTORS - QC7 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC7.mzXML SUBJECT_SAMPLE_FACTORS - QC8 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC8.mzXML SUBJECT_SAMPLE_FACTORS - QC9 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC9.mzXML SUBJECT_SAMPLE_FACTORS - QC10 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC10.mzXML SUBJECT_SAMPLE_FACTORS - QC11 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC11.mzXML SUBJECT_SAMPLE_FACTORS - QC12 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC12.mzXML SUBJECT_SAMPLE_FACTORS - QC13 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC13.mzXML SUBJECT_SAMPLE_FACTORS - QC14 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC14.mzXML SUBJECT_SAMPLE_FACTORS - QC15 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC15.mzXML SUBJECT_SAMPLE_FACTORS - QC16 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC16.mzXML SUBJECT_SAMPLE_FACTORS - QC17 Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC RAW_FILE_NAME(Raw file name)=QC17.mzXML #COLLECTION CO:COLLECTION_SUMMARY Each sample represents metabolites extracted from 1E8 Plasmodium falciparum CO:COLLECTION_SUMMARY infected human red blood cells (iRBCs). After treatment, the iRBCs were washed CO:COLLECTION_SUMMARY with cold PBS and metabolites were extracted using a 90% methanol solution. This CO:COLLECTION_SUMMARY solution was evaporated under nitrogen gas flow, resuspended in water plus CO:COLLECTION_SUMMARY chlorpropamide as an internal control, and run on the ThermoFisher Exactive CO:COLLECTION_SUMMARY Plus. CO:SAMPLE_TYPE Plasmodium cells #TREATMENT TR:TREATMENT_SUMMARY Synchronized cultures of trophozoite stage (24-28 hours post invasion) 3D7 TR:TREATMENT_SUMMARY parasites (5-10% parasitemia, 2% hematocrit) were purified from uninfected RBCs TR:TREATMENT_SUMMARY by VarioMacs Magnet using a MACS CS column. The purified parasite pellet was TR:TREATMENT_SUMMARY resuspended at 5X107 – 1X108 cells/mL in media, and allowed to recover for 1 TR:TREATMENT_SUMMARY hour at 37C. Following recovery, purified trophozoites were incubated in TR:TREATMENT_SUMMARY 6-well plates with Atovaquone (positive control) or test compound at 10XIC50, or TR:TREATMENT_SUMMARY no drug control, for 2.5 h at 37C. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY At the time of sample collection, after recovery from purification, the parasite SP:SAMPLEPREP_SUMMARY metabolism was quenched through addition of ice-cold PBS. Parasites were SP:SAMPLEPREP_SUMMARY pelleted (500 g, 4°C, 7 min) and metabolites were extracted from the pellet SP:SAMPLEPREP_SUMMARY with 1 ml ice cold 90% methanol, vortexed 30 seconds, and centrifuged for 10 min SP:SAMPLEPREP_SUMMARY at maximum speed (16000 x g) at 4°C. Samples were treated identically and SP:SAMPLEPREP_SUMMARY swiftly to ensure reproducible results. The methanol supernatants were stored at SP:SAMPLEPREP_SUMMARY -80°C until analysis, when they were transferred to fresh 1.5 mL tubes, dried SP:SAMPLEPREP_SUMMARY down completely under nitrogen gas flow, and the metabolite residues stored at SP:SAMPLEPREP_SUMMARY -70°C. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters XSelect HSS T3 Column XP (100 x 2.1 mm, 2.5 um) CH:SOLVENT_A 97% water/3% methanol; 15 mM acetic acid; 10 mM tributylamine; 2.5 µM medronic CH:SOLVENT_A acid CH:SOLVENT_B 100% Methanol CH:FLOW_GRADIENT 0-5.0 min: 100% A, 0% B; 5.0-13.0 min: 80% A, 20% B; 13.0-15.0 min: 45% A, 55% CH:FLOW_GRADIENT B; 15.0-17.5 min: 35% A, 65% B; 17.5-21.0 min: 5% A, 95% B; 21.0-25 min: 100% A, CH:FLOW_GRADIENT 0% B CH:FLOW_RATE 0.200 mL/min CH:COLUMN_TEMPERATURE 30°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS .raw files were converted to .mzXML files using MSConvert software of the MS:MS_COMMENTS ProteoWizard package. The .mzXML files were processed using El Maven software MS:MS_COMMENTS for peak picking, alignment, and annotation. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS blank-subtracted peak area MS_METABOLITE_DATA_START Samples 6_21_ATQ_1_rerun 6_21_ATQ_2_rerun 6_21_ATQ_3_rerun 6_21_ND_1 6_21_ND_2 6_21_ND_3 6_30_ATQ_1 6_30_ATQ_2 6_30_ATQ_3 6_30_ND_1 6_30_ND_2 6_30_ND_3 7_1_ATQ_1 7_1_ATQ_2 7_1_ATQ_3 7_1_ND_1 7_1_ND_2 7_1_ND_3 7_12_ATQ_1 7_12_ATQ_2 7_12_ATQ_3 7_12_ND_1 7_12_ND_2 7_12_ND_3 7_12_PPQ_1 7_12_PPQ_2 7_12_PPQ_3 7_15_ATQ_1 7_15_ATQ_2 7_15_ATQ_3 7_15_ND_1 7_15_ND_2 7_15_ND_3 7_15_PPQ_1 7_15_PPQ_2 7_15_PPQ_3 7_8_ATQ_1 7_8_ATQ_2 7_8_ATQ_3 7_8_ND_1 7_8_ND_2 7_8_ND_3 7_8_PPQ_1 7_8_PPQ_2 7_8_PPQ_3 QC1_rerun QC10 QC11 QC12 QC13 QC14 QC15 QC16 QC17 QC2_rerun QC3_rerun QC4_rerun QC5 QC6 QC7 QC8 QC9 Factors Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:10 nM Atovaquone Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:None Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:140 nM Piperaquine Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC Sample source:Cultured Plasmodium falciparum 3D7 | Genotype:WT | Treatment:QC 1_3-Bisphosphoglyceric acid 3407517697 3632741690 3139204634 3104741121 3882770346 3030810270 3183320754 3637678345 2332175515 2667024464 3188092070 2727405427 2845038081 3364401329 2175955721 3696790699 3712720114 2458325220 5272627124 2515707682 3269587147 3182965304 3922727976 3814314869 7960909287 5470659875 9277982833 4400341741 6845665478 8181290760 5327816411 5211837534 5403174313 2607202382 3105674635 2320058986 5091505584 3443798857 4913963567 7192908974 5219708894 3393923267 3702426429 3454462489 2_3-Diphosphoglyceric acid 3406260995 3631425334 3138187063 3103368208 3881928931 3029632105 3179877211 3634563193 2330149429 2664142720 3182034844 2726203417 2837577044 3360557357 2172505434 3691859133 3711276234 2454300581 5249983664 2508208517 3265493345 3165045057 3917633898 3802550444 7959367673 5470171829 9277732680 4399664590 6844779566 8180649503 5326849404 5211024912 5402074949 2602869929 3103113637 2313102775 5088084850 3438055782 4909190549 7192040438 5218215564 3392944833 3700746498 3452768924 2-dehydro-D-gluconate 2330632.543 2347849.311 2437398.582 2009710.682 2362876.146 2215362.175 3437817.209 4150224.744 3666369.989 4716527.49 4329210.142 3082192.389 5647909.276 4881393.749 6212327.108 5075238.23 3717500.834 5537176.963 4641059.246 4855900.021 6003091.595 7466730.941 4662666.853 5527656.72 2613176.763 2115123.316 2370918.748 5179709.256 4760181.642 5248753.92 2-Hydroxy-2-methylbutanedioic acid 14041069.99 7960862.704 6273976.546 25557901.9 42108276.6 20043222.49 34221351 14319441.79 23422354.45 278457290.1 90702261.66 168293489 187487236.4 255623185 145899080.3 48558605.49 88934463.11 112571450.3 13105840.01 16367540.06 19945358.53 61902866.13 79890005.63 3-phospho-serine 17081928.12 13220354.05 22384896.9 8785517.958 19872433.22 11693766.51 165484641 178831991.6 289977370.7 167941138.9 181246175.8 176223824.9 230028644.7 207275818.9 193186934.1 310816077 266801810.2 175545698.8 36819560.98 62183000.83 62653465.37 55746844.74 54434353.06 25291373.57 50326889.6 45385322.74 34723416.46 89215759.52 82133626.54 117693360.2 129672667.6 57031474.69 72245770.73 98134062.3 54989786.78 77234272.52 19663937.13 53452052.51 52570581.37 59243824.13 75776369.19 54729987.95 82565247.91 19072021.06 12401706.4 167064631.4 133713976.6 148991676.9 369204859.9 228265377.2 297825154.5 3-phosphoglycerate 244044379.5 146167182 272185770.6 165241764.7 147322024.6 146265307.9 1372629571 1088888387 1444051362 855570832.3 963730987.5 840697931.9 1508520518 1982920901 2080564692 2509586395 2151066740 1573360247 1676880710 1868203751 1281869985 1335909749 1528154148 1367495592 1890448388 1392054934 1563694709 1538917787 1653086985 2330963968 1763690548 1367800373 2251055720 1857771602 1372493508 1958247072 2451019338 1689244994 2052320510 1671057024 2399912223 2354730563 1208956563 1379566870 1772338750 237011813.4 1321994056 1469215284 1519214113 2182687866 1645392474 1547664290 2040476226 2446495883 247481702 202009621.1 1196958685 1044840957 1276510578 2058503020 1846175338 1553903129 4-aminobutyrate 93140437.32 96161819.4 89932019.83 65509707.99 63817343.58 63627818.78 148832697.5 196241791.1 174909275.8 146558652 129001769.4 86640071.83 155585961.6 161346171.1 148689154.6 120956236.6 100118987.2 113623539.5 118101721.4 116033828.3 123040130.3 188355563.8 175152041.5 164282623.3 133004361.3 96209622.94 139932266.6 131285100.9 110793569.3 146566279.5 199670590.8 132230021.6 185656811.9 119762947.4 143251464.5 149834611.8 107766878.7 116037295.2 131741778.1 74009317.93 120110587.6 136675476.2 162271746.4 100859464.2 123670707.8 176817184.7 176391102.3 76023082.5 74342396.97 78830803.74 146774827.8 120938988.8 120769014.2 4-phosphopantothenate 50607797.91 28694004.09 85602844.63 46154491.09 51153442.14 55543288.75 237636625.4 274598299.7 314952461.7 639927612.6 309887635.8 602243226.4 163376532.2 230443087.5 353581672.3 568017062.8 291939573.2 368239864.5 423602068.7 318046197.3 664887171.4 269289600.2 236169710.2 225142455.5 167436797.3 199873783.8 290800261.5 243910945.9 246031039.3 252519419.3 61198000.36 485681836.4 271857442.3 380468869.9 622895605.4 609936590.6 94390527.26 56964694.03 271305030.2 268102610.9 336684025.5 4-Pyridoxic acid 2469055.405 5904008.275 2801453.848 7090149.614 8347393.508 4596626.161 42396740.17 33955445.08 51936481.48 31226271.27 19091378.79 25776240.79 52071793.3 16192638.5 22547743.45 49607684.52 52908245 76589816.53 37707831.11 49561622.06 61308271.57 3731312.718 50199502.87 41946844.22 3410160.324 3698312.924 67427993.35 50117891.76 52288534.58 5-aminopentanoic acid 685908073.3 934186319.7 871550402.1 1084351680 808306640.6 577510278.7 940002740.4 944747442.3 855304734.7 921749243.5 1020400051 960278870.7 1113409843 1011945551 915500797.7 808479602.3 586534593 831658522.8 656164416.8 780961530 788379173.9 522445497.9 649107188.9 668687219 562111215.6 819556330.9 940591699.7 1043823706 985212202.5 925372041.2 743105317.2 733581905.1 5-phosphoribosyl-1-pyrophosphate 20722862.55 28048698.32 27476369.59 51549087.05 62937176.39 57061322.1 10852281.95 22334409.28 21298449.95 69549855.21 57507279.28 70799511.34 30088649.57 15408873.03 17573612.85 49133696.12 25783642.88 46554225.82 35956582.25 33496735.62 42088089.06 102616847.1 70796682.77 80339720.02 42623938.09 39076243.09 50194296.46 73215902.03 57751224.77 56796594.44 6-phospho-D-gluconate 29886831.24 24031203.35 46760949.66 29078478.36 31104954.64 25589068.35 342562993 317466771.7 208393580 191420796.4 220489808.2 286724041.5 274618674.4 184718523.8 203619881.3 344800610.6 180729639.3 225767656.8 144880612.8 233608382.9 348416558.6 101155996.3 124826730.1 198652310.3 23295240.65 239357123.3 171962788.8 200000349.9 152670697.5 277280219.9 27712776.56 24777729.41 a-ketoglutarate 431617982.7 578808977.6 1326163834 1430331163 658032396.5 821573456.9 651230691.8 621297511.7 614983713.1 309554784.6 254285245.8 492180827.8 658612870.7 412330783.7 372030010.7 818805412.1 398861881.2 462718640.4 734338992.9 801825511.3 566123102.3 334733456.3 412453461.8 642162122.2 563235575.8 413814715 372113650.3 547648444.4 644331572.3 498054066.6 604326148.2 744836497.3 acetyl-aspartate 582910.5351 736436.109 1867196.24 647354.1028 1116061.19 1996722.068 7829769.124 1959412.872 4106282.64 988909.7939 1881560.436 1745155.593 5512187.177 1618163.837 10930180.52 1016264.701 2642023.657 4659140.977 4175767.483 827383.602 1181472.824 acetyl-CoA 1544157.278 1133780.766 1625352.393 1245148.946 1565027.27 1849072.062 21989252.09 19106488.77 21809234.98 22875876.91 22403520.4 27131111.79 25164110.97 23949360.96 39037262.33 27092959.37 38872114.71 57941891.08 25182659.69 32981010.49 24385563.79 24949797.18 25439926.56 18662947.6 16715498.82 18182635.68 25299132.39 30192308.48 29454286.48 21661084.96 32846447.02 25427898.89 29424962.39 21259470.15 35073910.75 36515593.7 27204659.33 17157867.23 23559340.85 21757510.77 29122444.53 29865534.32 18944232.54 23813072.58 25049686.91 2202550.227 30219059.21 25058744.67 26293904.39 32416461.2 37738771.97 28462969.25 52452127.89 52514738.15 2068653.705 1267575.42 18375825.34 19202235.56 18904730.11 38419816.82 31434094.91 40293985.21 Acetyllysine 6735944.06 5331060.494 5684859.737 8329159.071 8500152.54 6916879.438 32234742.08 36536208 31907001.43 54410656.04 37810300.83 20809475.32 18161564.9 15481042.08 17661516.41 22729746.87 22744348.45 22820939.81 23228977.48 19398757.6 19673894.94 27477768.35 15322224.98 21846254.68 27862066.65 32673652.9 29932967.1 7873949.581 12243789.63 11750297.6 10129035.28 15555284.61 18790641.48 27053345.91 23757980.86 16359296.65 13123528.05 15488168.18 26751435.63 22730868.82 22150364.59 acetylphosphate 3096105.495 2820656.414 4668479.371 2595565.125 2523100.678 3962790.093 3980638.77 2419671.22 5649523.363 4438940.692 3325926.592 2455297.555 aconitate 3244206.374 3053726.819 5333800.372 5273203.849 5791650.69 6644172.907 14460390.41 15043076.23 11066978.68 22844487.97 17047791.1 22859562.78 11860749.33 13420620.54 12360746.7 22363027.71 22218163.2 25636789.79 26079069.79 21399531.67 22715708.96 16208904.26 16539842.89 25378154.91 34862102.09 20552876.73 33537828.04 27578990.83 21997681.56 24386072.73 23178763.83 11970465.67 23456782.15 29576984.53 38488343.02 34716497.63 23134897.57 26077408.66 37506240.2 5409490.629 13401316.84 19983161.54 19936659.05 31945188.36 22710134.81 26138332.34 38284233.42 43239894.76 6880670.317 3859666.988 20282097.76 19005582.92 19110353.82 adenine 10351348.93 3998197.616 3015119.068 10055719.37 11317650.35 5810386.955 6761739.073 10916663.37 4180743.689 22796131.69 8133552.368 2396913.273 11460553.52 20787703.6 4411901.362 3527886.786 5854545.89 14747442.33 9916517.331 14914919.8 adenosine 5'-phosphosulfate 170607153.1 217029270.5 376122023.2 212598130.9 282418029.3 246390994.6 248444231.8 377726819.9 187364019.1 503768045.7 536919318.8 410237933.7 406598048.4 296672054.8 517623228.7 391800085.3 374567339.2 260504505 590138330.9 447397267.7 312598599.2 258591843.1 248244411.1 340170933.9 409931708.9 222571541 355566195.4 381083491.5 460629891.4 440511163.2 528730405 359620659.1 559253804.4 299089521 429183527.2 321191620 392315476.9 343724242.1 452470262.2 332580943.4 456011135.5 477882844.3 488111577.1 348504529.5 421696138.3 552919850.9 482756314 222148922.6 197713914.3 159342306.2 352469012.6 314046572.7 464315118.7 ADP-D-glucose 1341602.232 1306881.779 2640049.325 705658.9196 1171668.844 1216237.347 18582393.35 9413866.59 9265330.104 6696874.923 19445116.83 9151819.242 11365384.35 11733497.54 6745528.565 5471070.819 12431561.38 10081667.6 8727429.412 6389348.496 7379407.842 7072133.882 8067598.926 18761438.05 12823155.8 11543314.49 10956582.63 9693265.331 9515585.194 18285323.09 17985768.9 16005516.2 11776412.27 894953.6273 11685595.35 8033571.944 6699062.72 13179243.08 8023082.651 8770229.485 18127714.68 22438909.53 578716.2546 739294.8736 alanine/sarcosine 18532877.63 18375454 18051031.6 17015709.49 19874612.18 13663916.38 34979789.07 34268198.96 28541942.06 48731143.13 39355636.36 26211260.33 15513131.45 20434733.35 16314736.04 23886912.75 17383637.69 14885160.46 24859948.08 23683139.53 19231466.17 33343862.92 31316876.25 36126230.1 28824792.52 21814392.6 28233726.49 32583413.97 22547330.45 28071180.46 25440205.3 30680860.25 35756266.86 32803509.91 35675020.61 21794391.49 24899179.58 28716715.48 21926926.62 10257811.9 13668201.3 14370723.42 32640829.33 18412729.58 23182022.02 25901221.07 34330676.54 18365637.43 19699910.72 20033864.03 40858171.92 35499265.65 36548015.41 Aminoadipic acid 779847.1891 776967.3978 849099.4121 1250546.306 1233121.582 1323483.097 1127191.508 1776516.32 1796129.828 4559539.375 3872786.579 2728642.523 900540.8198 670722.4305 909732.4287 1257143.14 909485.2213 957294.0295 1229565.034 1218747.055 1240192.062 2178764.916 1988690.542 2375289.345 4913141.827 3918038.12 4913088.941 2329104.96 2530489.778 3043386.476 1879858.33 1336892.492 1986532.966 2971809.494 3695493.93 3398194.241 1803213.355 2053386.436 2177457.923 685926.7232 843144.624 743106.8784 3462060.813 2103630.709 2878530.054 4491500.53 4361358.717 1418526.487 1380223.408 1531898.933 2975792.149 2984355.859 3045879.655 arginine 44039659.38 38814058.54 44693368.38 25886881.25 25769324.87 22085992.88 57693732 77650163.09 65046000.54 67283122.73 59133025.15 34797868.62 50548229.21 46596795.02 52611364.46 30894976.55 33660728.56 31977535.62 32961253.41 27491173.95 28920679.02 88501743.8 89163185.07 104126228.5 47567167.61 37273109.91 52118996.64 41860262.65 38114066.08 51213712.58 64970134.33 44934552.95 67513790.15 34440323.7 36839937.06 36616042.19 29248147.95 33076325.67 33616231.83 19158420.3 29037394.58 32706974.24 60147637.01 37608513.87 44093532.68 50005455.17 58068022.59 29571111.65 31232102.73 29437222.93 59770049.18 41480986.12 47617506.68 asparagine 60315284.82 46139275.18 49237620.23 54725991.62 58784222.83 45416552.07 107321046.4 103070380.3 79231731.33 158037577.7 114065346.2 63983619.22 46836675.66 45831386.3 48896521.93 58887026.61 47798591.26 48065989.13 56397125.59 48817045.82 49617264.74 75990461.01 77322259.83 74606962.59 68537735.02 61800815.62 67036124.05 65499717.42 51095914.22 70693391.41 79605858.79 60824426.78 95101238.4 95731448.09 91329680.03 57842951.63 81089579.07 74334511.93 73059120.14 31018497.26 44007974.53 47126555.91 75559350.58 48292653.69 62244926.86 74540403.4 90338363.48 52785799.42 55156189.12 59743777.82 111765799.7 90266417.14 97223865.82 aspartate 1021678848 1160905845 1046754245 2332321358 2203308300 2487268666 1771030177 2412441817 2135395592 4479339470 3854532137 2756240528 2734537046 2846039651 2741945659 4552818276 5076083147 4712394755 5352938313 4801167612 5169847487 2969704473 2640142008 3803796862 4766049661 3925681035 5790395684 5888108764 4541714671 6636746567 3631761360 1768528609 3207151819 3637773272 4407741745 3321666429 4161950610 4477672392 4951203000 3305503913 4433294285 4914495764 6101032317 3785834257 4272031408 5958393943 5231945119 2065207322 1781201345 2010243591 3598768958 3350144147 3374890107 carnitine 279975.6919 411684.4223 454796.0421 845568.8129 433165.5069 178404.7502 470038.9187 395737.5731 540996.7524 CDP 2883134.484 4742470.257 5769354.896 5551688.821 7163612.98 5240467.301 9381098.974 10648163.81 6671851.816 11842498.6 13084148.54 18553738.42 13934418.16 9040880.634 14996683.36 9451328.073 6033761.046 6587080.69 5605623.805 9615099.019 20011009.37 10514782.71 10102602.38 10696674.57 16855589.91 16795849.91 11642236.63 14162482.49 22613975.56 3177643.624 4032097.149 2689510.199 CDP-choline 18516629.29 26318113.74 16566275.79 17475214.72 16190338.4 27024899.65 14813792.04 34426234.12 6187736.664 16393730.7 35049482.25 28421646.74 42084986.98 36407923.78 49528574 41134044.99 38299354.81 63566126.18 51545545.88 47569584.25 55380124.74 59360035.69 39161980.17 43653975.09 14254346.71 17839741.71 14616194.36 30732945.93 28784566.77 27544984.4 CDP-ethanolamine 282716755.7 441764833.5 254716191.5 328804119.2 293429013.2 400033586.2 323167008.4 268575323.9 282881450 Citraconic acid 511585.0905 1807568.49 1429203.592 2551762.359 2605249.193 627435.5654 13725176 5299190.001 14420906.49 33270259.55 17866328.51 9647837.977 6791857.322 15179127.5 4647133.255 1367957.379 13548161.02 15730412.73 1045609.178 763295.6294 citrate/isocitrate 105506941.9 116205683.3 101417555.5 523249411.6 402735019.6 389065898.2 185723459.5 284304197.4 229433755.4 CMP 66894115.14 129451933.9 75596610.6 45403962.01 141785904.1 75667793.03 23249872.18 30776275.95 34471564.94 29880815.52 37757825.51 19684827.96 42705027.59 35255305.28 21965239.17 33311896.19 38468816.29 47182615.16 115165231.1 161805356.3 173798934.8 coenzyme A 2516850.242 2735796.242 3346394.479 3772292.921 5427585.627 3493263.933 4288871.546 4102679.072 5356420.094 11492609.21 8599294.446 10680833.06 5048549.471 5454361.466 5766132.82 4765414.452 5968734.495 6282785.903 4508222.358 4406796.894 3473388.976 4267402.981 3728809.244 3781073.5 4408915.947 3349946.554 4972260.476 4014005.637 3525494.546 3066810.401 902780.2074 405531.3235 274477.4533 947497.9119 833918.4098 458777.1845 188568.6657 188568.6657 45055.5839 3073180.515 3411925.189 2285270.777 1810593.45 2299286.412 2270760.885 2849590.514 2641707.891 1874285.237 1756005.711 2162438.765 2606000.188 3264914.471 2662845.653 creatine 1011515.973 1774878.949 1436889.865 2149435.016 1882355.093 1223465.149 2136394.554 1922839.117 2005592.213 2507472.62 2253637.124 2630345.181 2800666.046 2331540.698 2649651.897 3691593.71 2667281.359 3527589.553 3438684.803 3776609.316 4287092.636 3288336.493 3433213.645 3169160.376 1187369.248 1585555.022 1956939.115 2093607.277 2130483.014 1562378.964 1309519.401 1292127.111 CTP 111854444.2 100623954.3 97110363.33 163176718.2 134623311.6 155681474.8 70897092.76 85219248.31 77802034.01 151931769.2 128443626.5 137060999.9 146941970.5 171684432.6 148593674.6 104453803.8 86215655.96 67170032.26 205409143 164491992.1 175039043.4 138550492.1 146179329.8 209226321.3 242699247.5 137215243.3 257837086.9 233672423.7 298477047 469685323.9 244075341.1 353732752.3 370862820.5 180434828.3 182256945.8 168335661.2 219635579.3 194527767 248502467.3 304248416.4 212630451.5 109447018.6 89598721.57 119682427 cyclic-AMP 817481.3923 1298059.902 456979.3404 1626284.556 1488004.877 1876091.047 1369429.351 1388923.129 1498488.144 cytidine 993319859.5 1129176457 1002140810 944073357.4 896683065.3 970167979.8 967252024.6 1131828783 1012691106 1251977966 1115377050 804265081.7 471526177.5 483711031.6 495869015.8 491995478.7 465814442.4 473775633.6 492666061.6 465442688.3 520658114 776408629.6 752979351.8 819588752.7 724795358.4 572191964.3 713222209.2 769477759.5 593855324.8 835751182.2 1772180268 1313000556 1509625891 1319586647 1221123227 1091396480 1126783913 1224490984 1071250074 450482670.1 609129796.2 725414052.8 952425850 631954898.6 820076831.4 1284067674 1515698269 747749636.7 716249018.8 754395525.6 1407775251 1179795437 1247976625 D-erythrose-4-phosphate 770465.3783 1431358.459 847654.2838 1466688.702 1388972.248 910492.4402 1361040.381 1256377.456 1567203.174 D-glucarate 216519.4401 208376.6608 258428.1414 243246.3422 323708.537 485581.7521 865382.7612 1987714.591 3048990.558 5478657.108 56655.93547 2821666.173 275436.0132 198912.4078 201807.6435 1928424.372 1892884.779 1904685.437 D-gluconate 486076545 485495180.8 466019888.3 414783397.7 445022674.1 464972016.1 704282559.7 903562970.6 783905437.3 930392586.8 774631588.2 614809102.6 784460670.9 758344655.4 734248418.9 675160835.9 832810962.7 757915753.9 892002258.7 716063165.3 681897453.8 790451185.1 518827038.9 708619903 601463144.2 647103816.9 672185805.3 486446926.6 580696768.4 537630929.3 542887272.9 705365713.4 768688966.1 987090963.2 996412317.8 409057343.3 402268468.8 423591868 1006449715 731765937.5 763756847.6 D-glucosamine-1/6-phosphate 5672994.955 5931051.549 5182416.985 5382927.343 5338925.036 5836666.186 12370844.33 15076036.55 13559206.93 21238487.51 17533342.86 11607053.02 11351672.87 10668302.17 11223575.63 13708437.75 13448801.04 13375588.6 14531774.96 13021662.78 12721069.5 17139516.47 16263212.96 19600428.16 18641392.87 14114365.74 18442674.1 16798363.85 14938021.24 17974271.98 8099701.259 10624811 12875653.38 16319223.49 11297107.91 14758336.65 9473482.968 9102480.118 9850555.356 18118029.3 15975469.83 16490349.32 D-sedoheptulose-1/7-phosphate 3013578.644 1605607.904 3819971.043 2712419.823 4580165.465 3035753.026 16754816.13 16134238.37 21555610.01 16444712.8 21250350.33 16385486.58 24200781.58 41472713.37 26823582.49 56540974.47 39972161.36 24127581.4 79484311.51 90859437.61 103501040 64923876.63 88239378.14 103452795.8 97200739.87 111736058.8 161539541.4 2903299.124 143211520.7 99763899.49 91967883.67 3630923.484 2628632.021 20653415.98 26707427.26 31645296.34 37886419.73 36771514.2 59494709.58 DAL 1316998.859 1253490.595 1450881.677 1266319.24 1040489.795 1248482.73 4819684.777 4884283.832 3210242.987 4484901.216 4664094.623 3949233.272 5292159.062 12652291.68 12768905.25 13381296.21 6865382.716 10230920.93 6273392.072 5013584.022 3188190.958 3384534.801 6030726.964 7628659.475 6833726.329 2679310.561 5273711.818 870160.65 4205247.949 4619925.069 2799953.408 1284644.078 736981.3665 5306276.599 5440470.905 6560030.466 9673500.352 12878475.97 8893517.583 dAMP 1951267.557 697410.9486 1846263.454 767153.5769 1129379.459 1175735.518 1190874.245 1122983.66 1447091.05 3213785.651 2657841.959 dATP 13276616.13 19617523.86 22647560.69 11569954.97 8830628.039 11606454.7 68595821.25 88425387.96 80893175.16 78669350.11 76686585.22 76025698.94 111399709.4 114094551 127383422.9 178334357.9 130922743 115513457.6 123445309.3 164649603.2 106964972.9 78240830.75 81797761.76 70339763.54 81567723.97 75183652.27 81034690.67 157933006.3 124759488.5 77097975.13 106376412.8 101333272.7 72889478.3 78750132.12 100138091.2 69802130.14 366414347.2 213220205.9 275698853.1 94053278.13 122881859.4 182930744.8 106057043.8 109612675.8 119444450.9 6209812.188 92568574.77 98203056.72 99723865.73 80035226.81 105639662.1 87659128.87 169828983 158753975.2 7483168.744 7994287.057 59881594.17 66610438.85 58094931.39 103975554.3 92351776.81 101989846.4 dCDP 2109456.624 1315474.733 2194637.372 2194350.424 1673904.115 2142669.923 1413392.648 1224861.823 1265775.806 dCMP 853081.1892 564272.9247 1083900.746 940472.9557 749359.4976 819659.76 15474737.43 9165654.002 9012124.623 11673751.17 7853626.492 10116232.03 11271328.43 18940113.24 23229924.23 19812413.12 18633007.87 13586966.55 12240828.86 11649538.15 13811573.63 18700755.7 11364604.01 12664323.31 11486594.87 10777124.17 13245414.33 1489917.8 11471707.35 10463000.93 12495819.96 1274395.855 934691.1773 7327688.678 8269487.225 8837774.308 27337315.73 16644879.57 20385088.29 dCTP 2140912.567 2700459.087 4981979.695 4232953.966 3774572.625 4493261.238 41456025.26 36231497.9 35462121.39 34428409.86 27510061.88 34607873.24 33904044.85 39122631.13 37231300.25 36761445.36 31629065.1 33384260.7 33919413.13 40023448.44 35716609.14 53806549.31 44599406.85 34503325.11 53858212.21 43399711.28 45764146.34 36190975.68 37626065.64 54876673.79 46920673.12 25749777.34 49692674.91 24050167.8 34454603.35 51779403.23 33610191.25 46578329.25 48794060.33 2741599.697 45704347.16 46822010.82 43129459.69 57406927.8 49449908.3 63188025.36 72355273.3 52466171.83 4640705.475 5072434.256 22653040.23 19661081.28 26953078.83 dGDP/ADP 42447759.27 33970622.92 31621018.2 29764623.78 31559083.25 26432966.55 170607153.1 217029270.5 376122023.2 212598130.9 282418029.3 246390994.6 248444231.8 377726819.9 187364019.1 503771509.4 540440931.6 410237933.7 405757873.6 296086228.3 516720360.6 390974557.7 373603102.9 260050950.9 589175315.4 446791478.6 311958442.2 259123906.1 246914743.5 339640902.5 409058014.4 225235432.3 355566195.4 381083491.5 461481774.4 440511163.2 528810794.9 364679691 559334194.2 303705828.2 429263917 328012055.9 392395866.7 343568336 456612336.3 37112820.04 331841534.7 455093779.5 476845508.4 488498658.7 350993730.5 420755794.6 560123014.2 485789514.7 29695716.14 36476497.42 222148922.6 197713914.3 159342306.2 352469012.6 314046572.7 464315118.7 dGMP/AMP 11773579.67 6739425.779 11239265.45 8397706.754 11092181.06 15338634.85 68556074.63 97119871.29 127077460 171468619.9 151490817.6 152567789.5 103024723.4 48686304.02 71845941.18 51228499.8 73281178.31 84985393.45 161971028.3 135436229.8 238484705.7 15828253.46 155971700.7 177681444.8 13084019.14 10095360.54 143445611.1 117189130.1 119544717 dGTP/ATP 265251945.4 385948932.4 527357926.1 343022485.4 314442535.1 313586235.1 2100371655 2334898179 1887935928 1812154152 2219917516 2430445898 2564975883 2731379325 2523885368 5483881910 4682394401 3655649802 3944492956 5244821543 3415958216 3480733734 3515667408 2778124162 3120038298 3102488818 2953397619 5089449379 4749696229 2419665133 4370209457 3703800558 2796385393 3327062813 3911782019 2919075690 10482069835 5567343464 11362338693 5553163595 6879358314 8620197683 6203890449 6323363042 5967355152 195993442.6 3533959339 4211402822 3164983764 3666437409 4089765583 4310778350 6722083438 5412587183 242733435.9 230858749.2 1525837281 2052228572 1851660451 3541995114 3116143994 3738367002 dihydroorotate 957033572.6 1115507429 1147608615 24518184.21 9419941.365 18015049.55 20150813.92 28595290.71 7021758.107 407159309.3 505515860.7 dihydroxy-acetone-phosphate 196809087.1 114599486.8 227567505.3 78222952.53 116077313.4 109954119.4 251426852.8 378962603.2 442695500.7 1288269154 249881110.2 312106747.8 578062524.1 540745149.1 523454811.8 396325061.9 309465490.9 412121196.9 346682990.7 320977435.4 413165112.9 773592605.2 375067956.6 553084054.3 360608588.8 590257668.2 547594646.1 398770633.8 378958970.7 471623931.8 506366373.2 338478313.7 387251447 602504228.4 640449714.2 199620552.5 135197987.1 169773363.6 333040938.5 286953154.9 424324463.2 DL-Pipecolic Acid 261321247.9 236769709.4 262442714.7 227392511.5 251375710.5 208431369.7 644401092.9 801125866.2 771475192.1 873654537.4 682358195.1 480152071.5 700447693.6 733112264.2 629310160.5 605926068 628390053.5 591170607.3 638734560.8 580925049.1 507531717.8 715317076 590196549.6 849705078.3 603933017.2 422372784.7 678673181.2 561436209.4 485502634.3 629969563.4 626017250.2 453008047.7 679731762 410341699 499508485.5 512666547.2 264716073.5 363813341.3 367404234.2 356571637.1 460104243.4 519609365.3 647873449.6 393296442.9 457432597.7 691877861.1 671241584.5 312516694.9 281631111.1 305422713.4 550275533.4 512065178.7 503976372.8 DLH 58300711.84 62186286.44 55607463.98 66531841.91 67160068.15 67400855.15 240629669.4 340042848 315752634.5 339600892.6 283073348.8 202715747.7 180338264.4 180480994.8 169511129 182888822.2 195838807.7 179333100.6 180279039.1 173558299.2 163179055.1 160959635.6 152509445.6 219634272.2 164546942.9 125389882.7 197869688 161577188.1 118873662.7 168293676.5 307535962.2 194548090.5 262771822.4 268437838.9 333477578.5 320464972.5 82337431.9 122911460.1 125855451.1 98771819.29 135784803.1 147623716 182914941.5 119373195 129203661.5 188845309.1 187323885.5 94435322.6 98620583.66 102713474.6 191353836.9 157145090.1 165415805.2 DLS 11904936.39 10870743.35 7234617.644 13755154.56 10373112.17 8270591.183 100098824.3 311314929.1 253601438.5 192964361 66774001.25 96170776.16 141129610.1 65713780.97 97134564.18 80168792.23 110647600.9 97534326.4 28390770.62 44111059.67 53157316.32 8436882.706 96589078.34 91040350.9 5177929.371 6682950.792 87270854.6 103016563.7 73062781.18 dTDP 421172.8886 243971.4377 326220.4326 724898.1538 657084.1124 730526.4613 3727853.888 4630873.83 8918385.437 8453716.956 9643244.407 8156207.642 3113733.231 6039288.265 2980578.38 14174015.52 21690499.14 10032994.2 4479297.866 4812194.5 5087753.712 12168844.61 9121733.134 7522490.029 10358564.38 10887797.02 9508276.096 4916362.353 4216524.443 5548118.784 11752353.76 7654837.866 10850442.8 13714919.92 12196654.29 12691708 3563314.763 2132707.575 3744078.277 3833997.761 7105888.074 4421049.634 5191727.002 4649402.294 6808787.733 963847.2761 10054019.27 10638017.57 10818010.38 13030624.57 10172755.14 10787798.26 14923908.89 11797910.17 770346.0734 1046687.998 6010263.166 4818750.413 4398205.206 8567834.207 12556198.74 12432630.15 dTMP 1349405.205 2055893.876 2573239.84 8102441.385 5924640.844 4482517.611 1323658.299 462858.0668 777850.8122 449784.9005 1534445.182 1193341.417 2168297.422 1831207.208 3201585.133 3378262.398 4102921.253 2020539.647 2641498.969 2785996.365 dTTP 3068454.922 5792210.521 9189400.854 23591966.22 23798874.04 18599408.67 111373999.7 125319461.6 90499175.57 122954032.5 179616614.2 165009614.9 62525614.52 55144252.8 46791306.89 361581323.2 287854663.6 217631234.7 66224832.52 83422346.69 57867287.04 144669795.5 156011499.4 127847679.6 151710822.7 138529257.5 143238905.8 130073853.6 95148811.69 51999856.94 200298137.3 229408197.2 144360485.6 150356467.6 238268852 121002181.2 133733938.6 57624615.57 120692109.1 167597955.4 240036662.4 338781001.2 205005064.6 198269037.3 213630795.2 11688823.42 149654622.5 160315000.1 158829015.2 144391207.3 224976572.6 176021040.2 326470017.5 280356566.9 14005029.31 13120579.07 88574493.05 129612850.5 104559626.3 247313004.9 195246171.9 207752771.6 EV 5640959.474 3709005.744 11835875.38 5246437.353 8925056.175 4158840.008 5936634.099 8634048.591 9299736.577 FAD 4572297.383 4452606.747 3883607.434 4874250.542 4333191.141 5456878.279 26894366.83 17834376.9 9054024.688 25422993.11 20034008.73 11898705.2 12958672.41 20564610.21 12853502.62 17658216.38 19344274.77 25392469.98 4476052.107 3529434.741 4712829.333 FMN 717824.264 524106.6935 550265.9019 660209.1835 951889.7749 626618.3189 880767.6977 1216720.714 885999.0921 1197728.833 2533282.6 1458951.337 1110207.741 1066282.317 1122243.563 1644692.167 1474100.691 1257064.611 1502013.64 1276861.691 1523092.728 1676884.105 1727744.78 1295047.748 2151442.871 1585721.443 1974751.056 1914606.087 1544531.106 1853208.556 2525518.375 1104103.594 1323206.038 1740259.503 1435818.769 2295430.043 702728.7622 1260118.606 1355544.764 1323186.227 2146926.324 1688045.117 1972563.674 1400872.96 1415305.478 2857603.41 2872840.603 770377.5937 854255.0078 693908.8034 1682288.504 1208010.57 1790561.907 folate 15501600.14 35938868.61 7121546.867 22020377.49 36167993.27 9690088.953 6159779.14 5904657.803 1760975.489 2216833.117 1083460.617 3333190.027 1664629.19 1254537.276 495519.5124 14774682.91 8171086.356 14510816.32 12864554.96 15740238.95 fructose-1-6-bisphosphate 81077337.47 60437832.97 114790060.8 56849828 68903607.61 64309706.81 202988445.5 368809050.4 349935556.5 411936107.4 181990165.6 407451553 398524404.2 531639237 274165507.9 568281011.3 743811639.5 338142080.4 308687180.5 423291561 257798514.6 263603786.2 253842417.1 180106054 402063012.7 319679388.3 285550369.8 165101735.6 318382950.2 312249790 331100761 233526514.4 392620392.9 243710059.5 218370993.5 369511466.9 28564286.38 7282373.694 13523335.11 13155580.33 18640859.07 11914874.35 10289021.64 8472693.864 13311869.74 39175282.7 367949963.9 261702381.7 264511541.9 353413599.5 240437978.4 382107637 25838392.33 29386079.73 37860417.67 35296728.41 232208705.9 188055993.2 205166790.7 383693702.2 428143896.7 604353072.5 fructose-6-phosphate 47957402.02 40468463.71 61531138.34 30446610.12 59166526.33 55649468.78 215361054.4 249329189.7 182602091.1 308200540.2 207811005.2 268949052.9 280528552 464203422.9 278082536.9 472207224.1 456976988.7 309845345.7 1929801717 2065389882 1980468017 2484911845 2515127804 2673353904 2577401802 2090834077 2329730876 590158424.4 470513275 701429091.8 623076126.3 848488829.5 575797029.2 484961421.7 483438244.7 621410607.5 46476257.23 1625692079 2301692183 2680858605 936203580.1 758947127.8 43324072.1 30656493.24 233905475.8 213306806.2 300179884.2 405338168.7 371932790.5 499356065.2 fumarate 201486390.8 208690375.4 192851169.6 255404563.5 279081263.9 235698428.6 410750351.1 259789820.4 260571851.4 278001573.4 227709656.8 501008721.4 221114874.7 273440067.4 360248188.1 427873922.3 199869743.9 398105745.6 205865707.9 210449676 215884504.8 356663465.7 269168078.4 305073380.6 GDP 1956366.753 1138024.9 2533891.439 946842.4221 1072176.506 1304333.113 5836661.154 13392765.08 10696425.96 14194425.37 9096474.932 10618389.06 9391111.353 12016527.23 6145127.916 20801108.81 16949139.68 17294992.57 26092020.37 12748041.01 14568016.13 7201582.72 17433011.23 7237032.6 11710523.54 14534328.75 7948675.719 6951769.375 10293195.91 20504284.01 12087729.12 6958568.841 7841626.445 10388016.85 12938595.86 18003644.54 498280.0839 13098314.14 10979702.4 10674774.46 17871397.46 12300374.07 14213938.8 896723.574 690836.2206 6515505.149 6383922.323 5734484.193 14850232.55 16819425.01 13695056.15 glucono-lactone 10056877.46 9627092.722 12417216.01 9734253.82 12248928.09 9385502.656 16837401.96 28007221.47 26376812.88 44529200.6 25194724.38 17081715.08 17992031.37 19792978.54 20253422.85 30121417.94 28035911.41 35588835.67 glucose-1-phosphate 47957402.02 40468463.71 61531138.34 30446610.12 59166526.33 55649468.78 215361054.4 249329189.7 182602091.1 308200540.2 207811005.2 268949052.9 280528552 464203422.9 278082536.9 472207224.1 456976988.7 309845345.7 1929801717 2065389882 1980468017 2484911845 2515127804 2673353904 2577401802 2090834077 2329730876 485139481.9 359030570 519387761.3 480788096.9 753641030.1 515714633.1 390322333.8 346862164.6 584015534.4 46476257.23 1625692079 2301692183 2680858605 654530769.4 532992599.1 43324072.1 30656493.24 233905475.8 213306806.2 300179884.2 405338168.7 371932790.5 499356065.2 glutamate 13586871890 14598919693 13341196288 9824557869 9618800227 9671646022 22038785891 28968729277 26051611205 21613275692 20399538414 14082374652 23230568860 23673637537 22080493914 18080866803 16475617255 18125580479 19293829224 17983666627 19330583514 28803497076 26299748496 35476878683 21308140069 15337320452 24217023135 21895142629 18090440418 25543658166 33065662892 22152005858 30598052095 21074806336 24700507451 25890299153 18533231217 20442249185 22389791745 14226209990 19029202455 16158915717 27121802841 16781959769 19086997858 29248032705 29044245023 11138406484 11041293249 11743770263 21743940429 18955619232 19389432132 glutamine 374519764.2 319205226.9 323890360.1 400524984.2 349727185.6 297180459.9 601612001.8 602878514.5 533612234.4 959044807.5 696323299.5 435998981.9 304852495 312886934 313238582.2 563335439.4 351792857.8 339515724.1 389585105.9 348949165.9 364466449 528197580.3 525774578.4 575793988.7 515232807.8 437926150.5 554336280.8 528667240.6 411227057 577810422.3 521159937.2 400373954.5 577558117.9 584870816.5 583847538.6 434641171.3 630682726.4 476436179.1 500038462.5 246378073.7 310214769 353709875.4 630984777.1 396851000.2 471668140.1 543016446.7 644302152.1 367325057.1 356645834.2 386925940.7 710812816.3 593053097.8 627460081.6 glutathione 2074044307 2236966000 2454646774 2631241885 2983904426 2854640153 3428243700 4725744830 5012469376 5340540531 6927027588 4717332802 1542462.572 2718630.246 3815335.187 2603622.468 3270429.532 3260411.632 2504047.945 2765493.69 2938518.63 3355357.992 3737489.123 1954816335 1835604332 2240983089 3779560328 2786644702 4754816544 glutathione disulfide 219359291 101436624.3 144167871.8 123936036 185497750.1 193752524.6 1188487443 1251275889 604171350.8 1076816896 464552392.7 824085762.4 1340290334 1709597192 2569575938 4297083668 1101668998 1416657617 1504697512 1699529268 1739173490 1361273130 1418300651 1865548064 1889367051 890328669.3 2740027055 2834511894 2483923092 1963402795 1442318092 1128745821 1507686352 1854773760 1462262235 2146865465 1777678610 1738425558 1799674531 3226790638 2856201230 2618811392 1691162849 2176573086 2716483402 136497916.4 1956518138 2325230658 1835883922 2524680180 1697122861 1467816557 2869942289 2752547024 132116499.9 104616068.1 1733329117 1717774045 1260699889 1764171628 3262250496 2920975078 glycerate 14245950.09 16003758.68 14374250.04 9104512.453 9734687.377 10159528.86 13013153.39 13642965.65 11769353.18 21821213.58 18501691.37 9670424.457 7771561.887 5495810.947 9815946.379 7275260.844 8278400.259 9174490.774 4436072.282 6602640.129 7112067.928 19996813.13 19043778.41 11328815.75 10825295.65 11758353.07 23783039.96 15734522.43 15629481.26 GMP 35206716.96 29182670.73 60845316.51 10530449.33 6757599.732 6138282.42 195432929.6 228001206.2 327118722.5 93874292.77 105617262.9 128564750.5 316353989.6 455132348 411561222.3 165023960.6 182843930.1 74398706.76 16267120.67 15812711.37 11609211.48 140388235 111296317.3 76054244.13 203270225.3 197555153.8 188099531 GTP 108837254.2 106731159.1 93915132.25 101869064.6 90219088.78 105071126.9 127091254.4 164483036.5 108876726.7 95176708.65 88993208.05 100224372.4 76322972.42 108995082.2 79699938.19 375172802.1 251543871.5 413838097.6 167949804.9 222910072.1 235635105.7 195937655.3 256771068.9 222217743.1 96189458.15 125765157.7 83953160.43 200759302 165206740.8 71424158.38 62750360.98 85217753.68 Guanidoacetic acid 110927.7606 159722.7174 136840.2641 133417.0907 139449.4668 137792.5405 307295.7408 541854.3449 442619.6641 630177.7114 346960.2289 209062.8206 262575.4459 360015.4851 288845.7285 303610.4808 406226.8782 336581.8101 366984.0259 378383.6878 264721.0991 207702.48 301834.6642 350659.7366 186145.4367 167475.3489 178645.7199 357995.4931 423537.5665 238622.35 guanine 17624066.3 16172938.99 14846812.47 14230346.74 15379263.52 12450098.42 19739222.31 28298110.45 21581169.51 21444501.05 26410505.85 14302236.02 23633054.27 20515799.13 16473731.34 15935546.99 11377044.44 8753965.757 5808150.637 15289059.45 7030173.461 16772994.63 11873321.46 15460739.98 10284519.51 10875098.83 12108760.97 9149644.129 12280793.17 11111826.86 11741162.16 13970866.57 18811808.47 27662642.19 27328716.44 14008965.21 12684471.31 13587585.64 25303984.59 23695999.51 23390182.23 guanosine 7434877.432 6080659.431 5182156.864 5750948.785 5242547.849 4799400.078 3825159.17 6275629.854 3926101.401 4835755.308 4543909.435 5934837.416 Hexose 71975319.72 108691026.4 56143821.11 99996582.71 101179839.3 100140043.6 127161885.1 93508297.87 109842645.5 202479966.8 96480974.31 89518697.44 179173064.7 143853889.2 65183082.59 204698181.5 152793464.9 126634749.5 97504689.24 146136114 131493738.3 327444435 430154102.8 615339297.4 339610220.2 429062626.5 367634825.5 320109622.5 453591946.2 445168280.8 98341949.79 140598559.4 145948323.2 103706272.8 118553073 88715021.3 84868602.36 92034936.7 173441732.8 142000525.9 144222153.8 hexose-phosphate 47956662.6 40467724.29 61530398.93 30445870.7 59165786.91 55648729.36 215361054.4 249329189.7 182602091.1 308200540.2 207811005.2 268949052.9 280528552 464203422.9 278082536.9 472207224.1 456976988.7 309845345.7 2511484397 2772951321 2495633045 2433679333 2647649366 2516306664 2585703666 1996973301 2323010501 46475517.81 2082201931 2827733941 2514546372 43323332.68 30655753.83 233905475.8 213306806.2 300179884.2 405338168.7 371932790.5 499356065.2 histidine 42978415.29 38430580.59 38943985.19 39619830.88 41509790.8 35994028.82 90333694.41 109916837.8 94617201.34 139925338.2 107772164 64469148.17 61559637.44 60408525.71 60805506.51 66114697.72 65034201.59 61870646.51 73524877.17 62697357.05 62531284.64 79415838.65 83038140.28 92701570.55 77654507.94 60751333.42 79276710.26 71380320.12 59294118.28 76356902.71 120066886.2 83393842.36 126105116.6 113625447.7 122194394.7 111642153.3 72408701.18 94848727.23 87385113.32 36657443.72 52250787.36 57436160.09 72144384.09 47115178.95 58388233.63 83597174.91 99574715.2 51637107.78 51975607.57 55201287.95 101614958.9 83536822.46 86823954.69 homocysteic acid 473345.1133 513270.68 452669.2545 353186.7464 365149.137 326629.7468 510634.7083 693414.4561 618226.4322 902765.3375 693929.1326 873585.5512 937311.1041 784466.4691 1004520.384 987878.3599 627182.4854 1057823.509 750838.1808 820328.8024 1084755.873 1221073.65 788254.6739 957973.5076 391527.0795 383976.6025 454726.0391 1153113.994 927372.1511 944682.1412 HVDD 35639529.81 74298279.6 71307342.75 57782144.41 26953034.1 67255640.27 4936493.953 7007604.15 9031928.526 20355868.1 8178063.532 13623133.75 1517969.513 12275370.57 20169267.38 8182034.142 5528741.358 9356294.282 30187033.42 28587227.07 23096795.95 Hydroxyisocaproic acid 423945939.9 307244737.8 470695328 221292615.3 308848797.5 363173317.2 469666241.3 283131663.5 273965385.7 338146226.2 293712375 hydroxyproline/Aminolevulinate 42594109.47 43182580.51 41354506.36 39018940.97 41686071.74 39255810.21 65862307.91 69717238.27 64586771.01 94865020.93 71552207.07 52370848.77 56203158.43 57347415.06 47999431.14 60356195.67 57824630.78 34871577.65 61902325.09 59728103.39 30352659.36 62623555.65 56640805.66 46698371.35 43655748.21 46497358.66 65849627.21 57653259.22 34761846.52 64065524.53 73716937.68 58631397.54 83011495.78 76786181.1 82042722.8 71367919.49 67822914.25 67408268.9 73672477.88 40960511.84 54907181.01 60804993.8 69757927.1 44664597.77 54264868.05 79483830.05 87108815.57 41476940.25 42223172.58 44744982.27 81220947.21 72323208.28 75608221.84 hypoxanthine 397836466.3 438970995.1 397191407.6 378451023.9 380123950.7 414074043.7 511928255.1 793535521.7 529377614.1 767241791.2 762773051.4 575312348.7 438125621.4 409854047.5 449017813.4 826443091.2 755771101.1 782036616.7 IMP 106206004.3 82697738.34 225235326.6 95421716.28 91079973.91 65269977.77 625596574.3 670016481.9 1055881798 524684208.9 597937130.4 875367013.4 995879715.3 1142393290 1054217448 1345083984 1254666396 575617078.6 838653909.7 817755997.9 994045809.7 826234325.9 743160274.3 827427594.2 852009722.4 1037680171 788192612.7 108494886.4 971233004.9 686444603.2 1024292816 104717535.7 77645224.81 815107382.4 678540440.5 486878201.1 1125649960 1116903393 1131479857 inosine 63618613.38 123167167.1 68895734.44 46713635.33 55293637.17 61739116.41 23565464.92 24722689.74 22854826.01 24260412.15 28009679.58 25859296.73 28535119.17 23676177.92 23657907.32 22255079.98 21738667.27 26962984.14 25809742.81 17317383.84 27717550.54 21947531.2 20324343.71 28138938 84451256.43 54453325.72 76263828.78 64470565.93 81308880.72 84442516.42 57212090.55 63580645.42 66434303.4 21273233.46 27661989.34 29002697.18 39983875.52 25022491.46 28611959.77 45984624.99 46403276.25 67772619.12 72108584.07 75879323.22 isoleucine 1654079194 1721195293 1595273080 1470319633 1598220409 1501700598 2444842696 2993194951 2928744393 3876083300 2575812072 2051792095 3079193807 2778188059 3693115879 2946196972 2088821655 3198342350 2699816346 2477184374 2887322233 3311802639 2445832735 3453380987 2664449640 3074717356 3344176501 2367160361 2876585594 2848082757 3360342602 2167300131 2584948134 3659389045 3746055990 1740180500 1652981194 1762263693 3272304604 2898286632 2870608619 Isopentyl-PP 17802616.83 4750353.512 13345722.94 2621266.318 7249675.604 3702560.162 10241709.32 5223135.197 3839485.284 12472897.66 9788947.02 Kynurenine 620508.7445 685567.212 565555.0629 757465.5299 664642.9796 621822.78 1192347.578 984447.0632 1105306.304 1033619.984 914081.676 1549406.257 L-arginino-succinate 5325085.581 4223036.48 4156899.564 3541166.482 4087527.22 4695516.632 12162373.72 15178274.36 12610284.23 16541833.3 14436498.38 8665380.24 16202205.52 15356926.84 16870787.26 15750682.03 17685589.38 16221999.48 17659779.29 14469079.64 15694732.96 12934899.61 9721424.019 13972148.28 10450677.02 10687391.33 12881594.35 14837359.18 8935308.088 12493911.1 16396576.96 10358882.72 14244484.85 15126162.57 16377828.53 14675216.65 19691733.56 21508345.69 19616920.55 7513676.177 11717278.72 12324376.06 14369322.05 9083211.496 8909211.222 12485069.98 14294648.08 6800400.254 7255457.694 7298022.876 13920065.97 10976767.59 11015442.72 lactate 2522677595 2582116653 2564085858 1169609986 1490653031 1476422727 2142929143 3720931304 2052595861 3452085553 1985118285 1488286912 1896266836 1781969769 2445673971 3445664471 2893000390 4894967994 LD 120004608.3 120046868 130396035.9 119825986.3 159591511.7 44573196.17 108163715.5 98582604.83 112272677 leucine 2173735567 2210652218 2212029991 1773418102 1946905115 1775301360 3531492401 4177853028 4004705791 5267906002 3328742561 2706271880 4509749565 3871677557 3315464361 3677674695 2656563315 2545234291 2915232398 3020261679 2099244407 4694438083 3424775698 5065838099 3747840495 4418509028 4608222350 3002324491 4101750712 3973771732 2423895216 2777691950 3370192866 5255328631 5249923579 2577596395 2347717743 2513869093 4464644387 3910426120 3899815059 lysine 46861069.36 44213309.12 45077457.83 25972903.41 26619815.92 24233658.7 87416415.32 112821613.4 92210549.39 89062795.18 70643536.13 38548829.65 74557713.43 72881604.37 71205543.07 47295404.18 42672086.12 45017516.75 52673968.26 44799656.71 43481042.36 97578248.76 93614184.49 127128640.6 50174869.31 42683191 58236249.8 52758260.92 39831744.01 55655361.46 59595123.15 39965656.21 64631968.14 43020097.55 41110175.22 36346015.15 33244716.41 36168216.46 40073745.41 31835636.16 37507788.65 41405969.03 63680236.23 38493803.08 43951621 64499423.67 69959567.96 34981924.25 36542886.99 38518101.08 62796468.08 55847455.16 56480363.18 malate 293693424.2 284811003 429676921.7 225463086.3 315453619.6 277208675.3 983796796.3 1129590969 2172678396 980367623.7 2445952150 1311043389 2965109410 3254711853 2301720672 4879229285 2818315704 2728873627 2076472934 2029059212 1849112635 2551383421 2817849740 2358667902 3996384420 2274871885 2455490635 2546678534 1950554031 2638485939 2287733890 2826812462 2431426428 2969614319 2297554567 3171772530 4028928673 2472632298 3922425995 4120522216 3987676122 3528261309 1845584698 3117532025 2640994953 372094826.8 2174533121 2042231368 1997464145 2409422776 2264192027 3247164548 3408149709 4568601385 305090843.5 271128917.5 1590192227 1503934235 1657868674 3006381079 2384472148 4211749754 maleic acid 134070830.8 163993076.7 339340944.4 103960104.9 298984651.9 140489305.9 367303138.6 381475866.2 282343687.8 722358262.3 264180609.6 229090015.5 326921452.8 272297504.4 245985234.3 316090147.5 363592683.1 313927624.8 501934279.2 261365082.1 329206612 276691522.4 230373266.1 502035932.1 221771250.5 273887691.1 360308530.2 428164745.3 203794939.1 411875555.5 315912250.9 177597417.7 279162120.1 270656453.8 272446987 279736174.1 131253192.1 235346413.8 196741997.6 257072706.5 261928543 267020269.6 368195650.2 271023930.3 304646516.1 251702157.3 345393953.5 193761625.3 213221622.2 190699402.8 398895774.7 226480881.9 359474604.4 methionine 210119259.8 263489044.5 215707067.8 188064901.9 203363794.8 203460394.4 386071262.5 402667781.8 379547033.2 548918461.8 347482017.2 286169647.1 471667691.7 486222629.8 338940678.2 456269578.7 429580557.4 383198795.5 431147127.9 437916223 376657554.7 537079568.2 443340726.6 589887631 500499549.5 315030776.5 526779920 385759340.6 387562777.7 459381699.8 583336928.4 471418133.5 692096883 496191175.2 577183963.9 642022971.5 449136552.9 640792880.2 580419885.6 283925711.9 381845756.7 409405432.4 515419006.9 318309079 384185458.2 568152068.5 553452999.6 246705106.4 224334774.4 245565914 443705935.3 398872651.7 405962753.8 myo-inositol 58754303.31 72343054.58 54079847.13 47061646.66 48265684.4 56343359.59 93850671.69 118493559.3 102198406.5 121735862.1 129701540.2 79673824.2 103453245.5 98565532.17 98947325.02 105545251.8 117143532.2 118034420.3 137738384.7 114357408.8 106595561.9 171184661.3 109620656.5 155570232.7 129891418.6 144511351.4 160392307.3 111050116.9 132462050.2 129108721.7 71652938.37 99783331.42 125731867.3 141613632.2 130506859 55394718.22 56049690.13 59052860.13 150714679.9 102075266.4 106253477.8 N-acetyl-glutamate 6683149.019 3599850.362 7163426.657 4562491.007 5689924.216 10207626.48 38874027.26 25855198.69 41659404.87 10295909.13 11696245.44 20398458.27 38977919.65 14017268.91 28088330.17 7740694.751 4328056.3 8362533.77 5472279.176 6558871.816 6356870.536 8055723.591 8376454.686 8456857.739 7012015.376 33264943.25 25124635.08 19681870.23 5785480.909 5505015.292 4577075.957 5030877.498 N-acetyl-glutamine 4829516.796 4898442.488 5567881.687 3766931.714 4481972.027 3486733.605 10708674.33 10209655.5 12395646.24 14444968 8392540.143 6164985.267 6376134.209 6320799.892 6771617.574 13158983.61 8222038.106 15320102.63 N-Acetyl-L-alanine 48766302.21 50558708.79 52897619.47 118631208.3 71266897.51 66831840.23 69424882.17 58841391.38 51246963.02 N-acetyl-L-ornithine 11858257.5 16737311.46 11420345.69 14213181.14 13624662.81 16699620.32 42000815.58 52410104.5 44787888.15 66464976.59 54413164.88 36632838.59 36603747.97 38533330.74 38156795.53 42875610.47 44666534.26 41556063.72 45664799.33 38403203.43 40354488.75 36703133.56 35888188.62 47432934.97 39722584.74 30998840.66 45251806.33 40692362.87 31431038.87 46675633.24 47791481.84 29218005.74 40817157.98 48024881.06 51082012.78 52853887.11 26225325.6 34464437.33 32904337.26 24397716.77 32753210.66 36666635.39 45843120.12 27382721.53 32373713.29 46474321.39 41421011.34 22605238.26 21254526.97 23067003.29 42906528.74 35223771.86 36411000.13 N-carbamoyl-L-aspartate 1890248855 1255152638 2349271059 86057923.25 63221592.61 92999210.37 2977531448 5084390102 4920503678 181584216.7 178248626.2 141421037.9 7464872255 8411581948 11723334888 286791889.7 441215.9406 293713985.5 8160148023 4834962838 5066626521 333318573.1 375507511.3 204367973.3 563130989.7 358098502.7 185040094.9 10358678488 7306859341 10804963176 119904424.7 219989647.1 124735504.5 131752405 140108466.4 291823204.3 11187932903 6430978880 9967506541 448303782.1 600971150.5 769344357.4 193028470 267655260.1 511318523.5 393585356.4 1490051611 1239342964 1626049407 2033991358 1817689114 2516826490 3301992689 4116670055 442159950.1 337486692.1 1741339712 1843412557 2001589495 2250001851 2884911161 3141340831 NADH 281535.0308 202365.6086 564881.0229 569998.7127 2147423.355 1053721.388 139900.573 250278.4518 224639.5698 NADP+ 77545509.85 140835507.2 116139276.9 197676572.3 71804295.61 221049103.8 63949554.03 133775178.6 94508530.32 150540549.3 108407217.8 161195016.8 120153566 111563379.3 209416861.6 152724029 103199834.6 179716322.6 114773670.2 103477207.1 95519633.19 NADPH 1360508.839 1568805.757 1282881.659 2881368.539 8750497.404 4872708.001 6379343.537 4414792.043 2634837.676 4740992.326 4086561.983 3220572.87 2896563.887 3400499.943 2288576.267 3122094.1 3345110.052 4130256.156 744780.9556 816213.6099 758659.829 nicotinamide mononucleotide 8711669.419 7705570.837 8464608.293 8912905.139 9352478.244 8110253.048 9245332.801 12097731.33 11637828.34 19300178.76 14187973.45 9822815.434 8388726.205 7986847.65 8317541.658 10814744.84 11448312.94 12174746.31 13776020.48 10973970.35 11283025.25 14876018.35 8826199.909 12750467.72 13328950.93 15713833.28 15729511.19 11189823.14 13600795.94 13233483.61 7757843.454 11692502.69 12544517.76 18611768.75 20231591.67 9713175.176 8425680.694 9217382.809 16568676.14 13450045.86 13779086.7 nicotinate 4273497.291 19411155.06 13968303.99 34146933.92 31774809.43 19463259.84 10469196.53 6067680.786 6095812.27 8624253.111 9398258.958 9303572.231 5344044.089 9294552.355 10744466.26 13814345.53 17130199.89 10997173.14 14361625.9 24869173.38 20140296.11 Nicotinic acid mononucleotide 116128154.8 126715005.7 133795780.1 132321902.1 158111912.1 136765673.7 153779485 171952702.1 122149349.6 211630053.9 205519819.7 252419985.6 231532603 161790218.1 185713806.9 208784108.4 168432533.1 241569417.3 355247212.9 193666850.5 287511702.6 253926928.2 316624677 360647195.2 230162413.7 304043671.7 267169108.9 116488850.4 178123833.5 155965353.7 209340745.9 171045369.3 230582459.3 363553522.4 545439600.1 O-acetyl-L-serine 22051518919 29008664011 26099278835 21666572701 20430756487 14085164962 22900142685 23216707871 21916807514 17877293787 16146303911 17818309659 18941179445 17537243709 18914500331 33133761667 22210116415 30673911700 21117293581 24767326227 25907497700 18592342831 20466618588 22445474777 14103517481 18814274865 15775005634 29322521532 29118607217 21765908666 18982822004 19408420850 Octulose Bisphosphate 1614214.119 845764.3358 2237943.364 714505.9615 1353979.941 1139778.217 3349854.412 5713648.862 4793079.405 8152619.094 3257387.83 8954794.379 8724814.602 17356677.52 9675724.326 8012962.37 7168398.45 6010225.954 15693913.13 7705390.354 11368634.81 4034040.987 8433419.852 9804524.281 14041945.93 10030003.53 12527572.37 7348862.341 5839140.297 11527218.14 822701.2683 10236988.75 7701737.992 8270485.432 11505693.95 7839964.679 11005959.57 690551.7843 615058.4269 5047515.327 4786824.221 4938196.223 ornithine 7287883.531 7015714.587 7096880.733 4776042.714 4664136.382 4575753.87 10530836.85 11490582.84 8605828.26 12649451.6 8812860.72 2265687.498 19290493.06 16972076.45 20102268.09 17295257.62 12410353 16039139.26 15800600.59 14681083.95 14557477.69 16700636.61 12962695.36 15219871.23 5932600.446 6195787.774 5846515.258 4105436.261 4091836.133 6494535.927 orotate 2363258.441 649569.2897 1865133.738 1615789.501 1644164.988 1910689.073 6184168.832 8814897.145 4838365.733 2528527.588 5325910.42 2443202.785 636154.6229 894810.269 569454.0492 6941949.444 4640319.487 5987605.636 oxaloacetate 190806.5179 278463.9665 295249.4418 791045.9548 420867.4535 439061.1137 705465.4736 596272.6001 547201.0757 pantothenate 11523860.56 46814685.66 30202814.49 68595480.18 52564507.29 35070430.44 23670142 40527709.18 39203111.11 PD 1032611553 1104181151 1058977312 838249061.8 848233819.6 903468591.5 2603670134 3571627634 3173725913 3543538870 2856704719 2004046724 3463370431 3275736461 3266442494 3120833160 3612545745 3220477899 3465547933 2907032623 2837841418 3245350913 2942804686 4549864375 2442992778 2122748045 3374507539 2696920620 2051006390 3124999236 2388132302 1510535957 2139846871 1674978322 2004002348 2147648231 1038789923 1268379825 1360463480 1769479165 2431952947 2689572650 3259485028 2009326560 2049397158 2694373739 2568811392 1256924941 1164026550 1278634416 2305755665 1939393227 1960839898 PE 78720465.41 82095515.41 78822562.22 64740019.39 62322960.3 65653182.18 256750832.9 346567315.1 328564836.3 352945662.4 250355098.3 180360765.9 320712063.3 297886188 315353504.5 294095406.1 294988689.6 260544946.9 286473423.7 279796634.9 272759295.3 255601838.1 237779152.6 358549564.8 174480586.2 173466933.9 266886948.1 235041953 164901703.2 266369930.1 264575538 159949959.2 219262039.2 201110196.6 227699632.5 230816883.9 149465439.2 173821798.1 171824706.6 158470733.6 218913067.4 245625445.6 272702120 173844184.5 163594406.3 206676224.1 206800233.3 122599270.5 104050160.3 115309725.2 208541728.7 172824626.3 176004113.2 PEE 25398096.78 23202429.3 20179379.74 26887164.92 22013618.66 28568067.37 84920401.31 152040996 145199588 99969877.3 50494467.92 77266417.32 49301754.25 45684212.28 30927681.7 86379096.58 59603050.79 51982811.27 73910615.12 87289540.47 52592787.58 34585320.35 26913538.15 30663992.69 32692513.28 29847072.9 37430898.5 79078504.5 80591840.41 77831603.51 PEEK 6621307.718 6459540.281 6321442.652 8984627.324 8935286.206 8687179.659 25136562.74 36013307.31 34022529.27 40673827.92 34648164.64 23901047.52 9896994.982 9723956.616 9799597.33 13200754.2 13008452.66 12558820.96 14856969.59 13924750.15 15151400.16 10783451.52 10932974.72 12997633.43 13405432.87 10562473.77 14927888.84 14002845.29 10719331.01 16180772.52 36188211.79 20756283.02 27078043.09 34313800.91 37146961.15 38535865.95 20030051.92 29827747.79 24049895.76 6378842.27 8554168.017 10546229.16 14111140.98 9158429.625 11240610.63 16451158.31 18700997.67 11795749.15 11651064.59 12684003.82 23094436.08 18915295.6 19198261.04 Phenol Red 33421160.43 21725134.92 34373606.22 25669047.45 36102841.73 38870123.42 200669204.4 200613330.7 182766410.9 202552010.8 185322241.2 239310312.6 381523523.4 589045358.5 452486236.4 651224025.2 644649141.1 378227946.7 332788100.3 422479528.2 352156928 338502856.8 518804143.5 403841616 386998351.3 300707684.7 369788088.8 525545878 367473101.8 490807366.4 391352241.6 344556084.8 389463236.2 343943731.3 441530873.7 372461443.8 276847274.1 219402059.1 380441669.9 275106814 315081752.2 287957127.9 197290828.4 245186421.6 251796522.1 34615551.43 313907853.4 325491928.3 314297339.2 504333272.5 349572051.3 350569831.5 473562543.1 489563051.1 31900678.89 20361432.39 252485332.4 265023453.8 250039007 518552186 448735988.8 391609072.8 phenylalanine 854191758.3 1155669123 774572080.3 690636149.5 721375585.3 781841065 1923188695 1552161618 1458504997 1991866674 1793336428 1115296488 2233247886 1888796286 1873044967 1857884877 1306410998 1493611080 1542375507 1621098223 971698357.6 1836746943 1402131446 1976869127 1435435454 1696463845 1931272093 1177652790 1659659547 1534666514 1379201507 1261956889 1585240918 2054158408 2282712032 875784114.5 856800001 865188196.6 1770317469 1488630897 1687067021 Phenylpropiolic acid 603003.5347 663567.4631 1659697.181 1137002.372 735431.8373 1190021.01 384224.6243 663914.947 438579.7395 phosphoenolpyruvate 48509889.15 26550344.03 87424885.77 29179886.74 24467337.85 36714662 134894481.6 146500665.8 146772845.1 255243895.5 134426551.6 232792140.9 292956285.2 227732069.8 395865717.6 382699537.9 103588636.3 334258047.7 374224050 255386628.7 491840762.5 488949154.5 297277932.9 515193665.9 256042422.4 413678817 408583630.1 180306366.3 236104522.7 358920761.2 25945733.91 462171006 356197610.2 320768144.2 490598713.6 481703505.8 37480323.96 24426028.11 123606591.3 116137401.9 173347111 proline 43469201.5 49965845.95 42792007.11 38039496.15 41035382.39 38259024.34 67928305.32 75646384.41 73359910.45 98398995.49 71185491.32 55689255.34 116168290.1 129060654.4 94213873.69 106776065.3 106484754.2 98258886.64 116794398.8 110874091.8 94047542.66 92460788.37 74554784.84 116983525.8 75301175.94 93443481.09 101303654.4 68309963.4 80723142.59 88965845.14 70600272.42 100727479.6 106183772.1 110597525.5 103861187.3 46875492.6 46731683.74 48551053.47 87997347.2 76333411.2 76685940.85 PTT 3598718.971 2923549.914 3772197.068 3082949.813 3127647.172 2761994.272 8806539.512 12191015.64 11636806.49 13336861.72 7247454.581 5471447.718 10464275.92 8912639.98 9760635.642 8478413.808 8374057.554 8001767.443 9192226.688 8014323.828 7647965.156 8280611.701 8048793.487 12523073.82 6665922.929 5549520.777 8646887.724 6630995.443 4890283.047 7614656.443 6689959.405 3889741.657 6790274.631 4172688.832 6149545.992 4903088.402 2043468.247 2385861.29 3112309.419 3974382.756 6198299.416 6659310.567 8606675.848 5319736.279 5409419.294 8362240.912 7377010.935 4670032.635 3429078.484 4229396.918 7767198.956 6292889.485 5929026.589 PVNF 1730834.055 2886029.216 2650633.218 5082239.932 6056505.219 7711012.737 3638716.872 9988274.018 6301977.517 21719992.2 15241268.99 16587759.09 17115273.93 19489513.55 43881394.48 36024836.08 42485306.24 51143056.95 2167858.871 1191352.91 1645183.531 16226166.68 17184658.04 19537504.01 18920620.38 23220335.26 23528625.06 pyridoxine 35613552.8 42819622.07 36570401.94 30867333.48 32780949.37 36094304.41 43272956.57 56219739.17 50576117.53 60107744.73 48292709.57 41600406.65 45801734.53 44270630.64 36677293.57 41359373.91 46451416.66 41734664.06 41511234.22 40907474.53 34183386.08 52785733.39 42268559.15 62890242.03 43633768.07 30897552 50392258.62 38196896.46 38714057.25 43797979.47 53897542.37 40357181.23 52772869.29 44707547.48 47698072.85 52530652.16 29296178.62 45907006.62 39980318.79 31738190.07 44472213.4 51146286.1 61738551.86 42448419.64 49693843.86 70465186.68 72885713.11 32962556.15 32245692.73 36218308.32 66338488.73 57028859.02 59554044.02 Pyroglutamic acid 259274573.2 127622534.2 420316381.4 305307755.9 331597025.8 179129572.5 258084542.5 712919522.2 62425095.73 462153487.6 333710729.3 133745431 349348507.8 509042255.4 543821350.3 422236066.5 627289819.9 737191223 Pyrophosphate 30218700.86 27934186.9 34129715.37 26514615.73 29737263.29 26059466.76 13510638.85 10328565.98 33287757.3 74074730.26 5231007.662 35063444.34 40863188.04 41363262.04 38600890.28 38194726.98 28499909.68 53870080.56 16920837.87 41071691.45 37400565.51 19530524.28 26522290.5 55172367.61 37504777.42 23414481.2 35033343.61 34261679.64 43215380.19 16966434.07 15417069.55 13583313.11 riboflavin 1120509.96 2844683 2140229.701 2915548.546 3098428.574 906151.5767 1714794.381 1658724.225 1719395.002 ribose 11378880.24 14452658.12 11831228.5 10193215.73 11046962.72 11139319.03 21365486.72 22125051.13 20917955.13 29913887.53 19209589.35 15957228.23 25719258.47 26699189.31 18298271.56 24948036.57 23210997.21 20787846.57 23513092.86 23627719.63 20604931.03 29081899.97 24053559.19 31849276.74 26990639.85 16913127.21 28339444.87 20948634.79 20865095.29 24703696.54 31694230.9 25653263.98 37694560.41 26857279.33 31748450.85 34489192.35 24599394.44 34625563.61 31742690.92 15410497.8 20707279.15 22133289.49 27593797.88 17037912.26 20914200.21 31365960.94 30390038.79 13522576.08 12350401.12 13301025.57 24367880.26 21982362.62 22425697.25 Ribose-5-phosphate 530977532.6 327970512.4 706821509.9 341840288.4 555321368.3 278962808.7 694747480.6 826723735.9 582494204.6 1180855843 595955476.1 378450114.8 620101196.4 711655974.9 676362370.4 862964784.9 832837078.4 1242863313 ribulose-5-phosphate 291759933.7 172502426.2 316848329.2 176269378.3 230045568.6 82773440.76 696000584.4 831815194.1 583354679.5 1201667150 600805227.1 385618130.6 252417485.2 479207988.5 232796160.9 113385003.7 152138171.3 84597805.84 140450723.8 116671895.5 116416155.8 518748582.9 626027449.1 517750881.7 722688647.4 367773528 384542524 348440795.3 345894609.6 372284516.1 183064321.5 138481114.4 99805240.52 374180509.3 296067822.2 453775842.4 335247868.1 273737067 248905020 873007400.5 838190852.8 1256515590 S-methyl-5'-thioadenosine 677471.2115 1288255.782 1189027.682 4344708.523 2010014.503 2023613.938 2026473.169 1310818.189 1310787 1287034.022 1726920.112 518446.4861 651464.6219 737576.7692 1172267.981 3821360.563 2010381.64 2706905.638 943901.6977 1440506.649 1654528.484 1040108.36 2149511.51 2541824.033 714783.3003 934652.896 587199.5352 1287515.023 1275737.603 1336190.622 2005834.064 1282963.556 SD 48812997.26 53283222.03 50807676.51 43111122.05 41463481.39 44312678.1 131132980.6 176693045.6 157735652.5 174981107.7 153871633.2 107733435.9 146562884.2 135783549.5 164293777.8 115451094.8 81364182.44 113170172.2 96555596.1 95100118.29 104251784.3 191644751.6 110361335 161499610.1 130504371.7 158201248.6 177095295.7 75539846.31 116524358.5 115492163.4 99699148.38 75953830.75 100323784.2 145188470 143857400.4 62154333.7 59555129.61 66017875.54 121410369.9 103377009.2 106463164.4 SDL 12187111.25 11193190.2 7498315.574 14060246.55 11087361.2 8830648.746 100147562.9 311325267.7 253837382.9 192971719.5 66339880.15 96142580.14 31909916.18 35761450.1 41620507.47 54016709.45 35266714.41 39634403.66 42723586.7 53763504.27 65147078.63 8915203.257 53564427.45 64824159.89 49070967.89 5080554.983 6885925.336 87272393.47 103075903.3 73045209.39 Sedoheptulose bisphosphate 4811720.358 3439499.984 7190148.865 2634203.731 4505088.437 3443709.07 13979741.22 24217720.15 21073021.47 26163299.3 12303019.6 32676016.67 17944588.36 29614481.62 18347735.13 16122144.83 14474066.64 10837810.93 28607295.62 18830671.69 18898940.53 8917442.368 19206083 16037994.67 21149848.99 16083492.02 25320880.2 13220557.68 13731970.67 25095682.48 2567236.926 23206754.98 15614582.86 17885969.8 23159859.98 16018670.4 24632659.53 2341211.657 1767770.956 13579000.56 13576747.99 13052339.13 serine 21264350.66 18154133.5 17095447.71 19097173.32 20835916.97 16809510.09 43957245.02 44485858.53 37215788.22 65878149 45396619.01 27520665.36 24691650.5 14504854.44 32974698.79 29407324.66 28181846.36 12103892.46 18412266.06 18147302.38 17861739.63 13333772.03 21404488.94 22165899.76 23208242.35 24776190.93 45863211.91 36119422.29 39476328.7 SID 99637973.36 310975225.3 252890794.6 192673606.2 66612464.52 95968741.57 84475536.03 102412034.6 73071434 sn-glycerol-3-phosphate 1632092500 805224158.1 2340232892 1026103076 1517966612 615935196 1565888293 1316393223 2417828132 1437357787 882536072.7 1343744203 1493452262 997481530.3 1291482212 1422281316 1078287155 1751280166 2482443477 1062286156 1037833299 784769068 1824811589 682017148 1280086613 953029466.4 1232258448 1875973579 2521691323 1548614369 2122999103 2307253666 succinate/Methylmalonic acid 280667948.4 1191267381 924388166.9 565601903.8 754769415.4 2457555500 933709885.4 1175825071 981242506.7 1543412463 957135304.4 thiamine 31407473.33 30995714.77 28430377.47 26729623.03 27116261.68 25582755.76 35195616.93 42167498.37 35406758.5 56750332.75 43111698.76 24602843.47 25972722.76 25291553.2 27952996.98 29613741.04 27861264.6 24398166.4 31465023.6 25097525.53 28096076.45 33265213.61 33556558.99 34521189.64 30086044.43 25531359.78 29062506.2 26957737.07 22398303.77 27945844.49 21635279.85 13369931.56 20914758.61 19938886.33 22533333.4 18000859.01 16018844.66 15023734.23 15331725.26 18760399.1 26368338.61 28743174.6 34462145.06 24004959.23 27878716.09 37724867.55 45903291.82 25378531.34 23401109.62 25595173.54 51476323.18 37472825.45 38114874.04 Thiamine pyrophosphate 10061364.44 5090081.962 8289419.605 8263786.463 10392117.31 5664633.573 71237519.61 74320486.12 70722987.14 108951333.2 76325952.18 45599349.83 135512430.6 97864835.25 90673638.58 57243599.93 87483384.1 73294014.47 13288767.14 14230529.02 17527642.85 threonine/homoserine 51806032.47 49652419.62 38280448.71 46822597.17 48652119.66 46809609.09 103951996.9 100570531.4 90602460.69 144597770.6 111424860.6 77233689.91 53009034.27 79772223.89 76657801.98 81628555.02 60140856.98 54148621.67 86411930.46 57166509.31 81462555.49 89245050.77 63154265.02 93911426.21 105143217.9 85908704.3 71746427.12 74578388.88 64626507.19 67325512.44 50319213.37 65921081.36 53787947.58 77822350.3 107933107.2 49481911.09 45476922.04 49852800.52 110107326.3 78831051 97620214.98 tryptophan 16264507.17 22005126.44 30792694.28 13914943.35 38025737.42 28213845.96 69796235.36 60954109.31 97992497.11 53503904.96 134046214.3 67988987.57 19187185.7 14776260.74 11803024.01 157567752 139606494.3 231577890 tyrosine 824890563.4 843015903.1 816245523.6 738986123.9 775703551.3 734615879 1298627452 1661105398 1519575147 2122228160 1440629262 1099696049 629325696.5 709373289.5 426260896 409612955.3 480433552.5 639977822.6 682390698.7 421451130.6 373714533.3 1254876796 1261688536 750221778.1 657699049.8 1086251575 618415344.3 687725376.8 638160073.6 499647833.5 1827174701 1245398964 1685032623 1435091208 1595774843 1174789737 1146750156 1441699361 1355138533 349649467.8 582508327.7 548092603.6 564441722.4 958687411.3 966895919.8 1600039433 1980808144 976788436.9 884818260.5 965370978 1759714116 1467675815 1474101826 UDP 1792463.884 861732.1268 1934834.022 3545970.148 3839086.373 4501952.923 9663228.886 18482986.94 17150748.2 38447592.36 27897901.21 29865302.83 12668702.62 14890361.11 7012062.645 47555459.73 93835574.86 30299821.13 24556949.83 14821356.6 15754329.91 33982425.47 70755218.43 27326292.86 39585801.94 52148313.07 42927799.71 7758629.93 12142262.38 23122530.48 56497534.58 30730762.58 32696506.26 48976462.42 50268377.53 59838945.88 2106692.284 38312878.53 45679289.52 34777140.71 54307633.25 39791720.91 47633563.1 3363372.927 2969860.804 19176529.69 18729367.41 17060289.82 45397833.51 46685632.41 39488481.04 UDP-D-glucose 196067915.1 214880644.2 220378238.2 236833822 176030949.3 226148750.2 355193455.9 669070189.3 412409483.4 509489199.3 334602.0455 326808415.4 368847037.5 442323587 303829246.2 273976280.8 341158387 263859606.1 371064334.1 285647568.6 345769297.6 294742912.3 401125760.8 382303119.7 500145871 377098053.8 376266901 360159166.7 362457528.6 486727410.1 653962046.8 486888359.8 427775720.6 343266008.9 422893363.3 727386368 505605661.6 523994024.5 498635528.6 425947747.8 288708595.2 271392169.9 400072817.4 262730417.4 353230510.7 538036893.8 610465059.2 212456090 234610603 296440810.6 559664996.1 486910693.2 410889441.2 UDP-D-glucuronate 2746820.119 3252833.371 3755576.305 3065262.601 3101583.395 2663322.726 20322989.79 29581267.61 32465564.59 32827041.17 19809852.27 30989691.76 30648939.73 38642406.05 25889019.08 65098175.94 71592273.62 38767928.37 30768889.21 33920716.82 23375998.89 26239714.82 30850211.06 22592527.02 25154873.29 27493916.95 22532175.74 31307732.59 29184782.74 23128719.66 35634343.87 27574745.23 29422733.16 22563766.18 33665213.05 32637799.23 68529695.57 52006149.84 70882142.18 43341495.45 56589664.77 85689497.05 38470924.41 59669572.37 61854930.25 2737640.283 25924155.78 32256431.61 27681542.1 36097173.08 36536162.56 34766668.02 51601634.04 45334169.33 2682549.012 2827641.592 20941200.31 12803093.44 15485079.37 27702567.93 50304318.98 40552596.59 UDP-N-acetyl-glucosamine 151519586.7 152977288.4 165766277.5 188519200.3 140130167.1 187280748.1 237719572 431368001.6 293370497.6 430369785.7 310249926.3 234751015.3 195363966.2 201550034.1 161908390.9 159565942.4 223326586.7 175738646.4 234905722.9 180891021.3 195020468.9 186649483.6 270790246.9 217045336.9 332980400.9 235188348.7 245278286.7 225010561.4 239833165.4 334848702.9 340111140.7 227999899.2 207450447.1 229357734.1 251141133.2 456383873.4 277511965.9 295510705.8 283861125.4 240991069.9 166652368.9 163596773.5 243518622.6 165708682.3 230456905.3 376004753.3 460426732.5 180765707.3 191476881.3 223866477.5 430060900.6 341641752.2 310803886.7 UMP 745877649.4 970500652.9 890224694.5 1085065407 1601931147 720817872.8 97204885.47 99330039.32 134205983.1 184350308.4 536913209.8 398005421.9 343095288.7 383868506.4 191001044.4 223537534.3 482328017.6 339783693.4 335671262.7 454729754.2 327610369 729783623.3 636324969 226764781.7 171108441.5 184088588.2 124827397.1 481735963.1 343242084.6 213907314.3 127304013.6 387552108.7 139360600.7 307091147.8 186971159.6 247567685.6 419193004.6 369985833.8 600932352.2 774694527.3 1127976482 1467569608 1779172666 1957946000 uridine 2550767.273 2746960.16 2406041.306 1927013.142 2233367.075 2010880.758 3136915.812 3805590.599 3581598.895 4874544.137 3568796.726 2499347.889 5065007.385 4936802.111 3816767.986 5043851.75 4924473.796 4530648.206 5759347.323 5361255.726 4363577.458 6182728.504 5267170.594 7907264.252 6325005.675 4139997.12 6432102.84 5786978.898 5650254.622 6567472.174 2609566.476 1687935.002 2698810.309 2799539.212 3239143.493 3584861.145 2114482.198 3271406.226 2953269.425 3840897.383 5093124.251 5319459.906 6571590.357 4070417.648 4940299.886 7086698.603 7276257.217 2516065.312 2548531.703 2846640.646 5101616.098 4665033.348 4434390.771 UTP 18594003.79 17069355.45 23835933.56 86331784.3 77938760.26 107344892.6 305474253.3 342410514.7 282343137.1 579930653.9 562039926.4 571189080.5 159644178.4 199422719.8 225778769.4 1396447564 1465694754 1099647418 390664278.5 449472833.5 308982140.6 1138259325 1147217186 1030398697 982168336.8 1040032888 894663086.6 500124077.2 327459760 220343944.6 1301114846 1127397764 953403029.6 887040541.5 1286926163 1037710203 487639978.4 250175789 642438201.5 1062740619 1839397098 1586823441 1464409980 1230961444 1164935032 50055812.41 1055556944 1137131869 639112902.2 1169504093 1324163315 1164924803 1990877523 1088797522 81761559.65 55368025.1 419518421.5 423682002.7 474032983.4 874002087.4 763554945.7 1128393692 valine 384629742.6 385860355.4 383271084.3 350468263.2 371830613 345135823.6 685901143.7 934184100.2 871556152 1084335389 808291101.3 577509997.7 940007376.1 944753996.8 855302976.5 921759245.8 1020402777 960282708.1 1113416448 1011947053 915507473.4 808500995.1 586553331.8 831668294 656167000.8 780989166.3 788378134.4 522456950.7 649104447.4 668716797.1 562117475.3 819551808.8 940585993 1043850622 985237260.3 491756681.9 466839513.1 508531217.7 925391207.2 743098387.6 733574676.7 VD 1958774.932 2194472.336 1681236.398 717083.2249 2269777.345 2346058.28 4696947.979 5481221.357 3914096.608 1032326.406 1024494.947 1216176.536 16359181.18 18919601.06 17921948.1 5606666.126 6355359.966 3881446.107 100155316.8 93732539.08 99014821.31 77880567.57 88170323.13 78273063.6 92973762.2 75011186.62 78651965.4 18323045.44 11821584.99 17056289.75 6602942.974 8787332.288 7781947.824 4273765.615 5350359.905 5338672.846 1153349.558 48263731.89 66037346.49 70790655.96 7758780.033 7933286.727 791781.4983 716502.5817 2915668.034 2910073.19 3137232.991 7697393.802 5153179.457 5409541.056 VDPVNF 469514.72 503418.0782 1099724.535 630050.8276 707869.135 508944.539 1840091.226 1527276.097 1229439.83 2039317.029 1693341.915 2136188.18 7624951.211 7242747.97 6444318.646 6067654.222 14590206.5 3832564.194 10735113.92 10914689.89 11776393.63 9848713.091 13337591.27 14994693.56 10739807.45 9821409.402 8167194.364 8214394.805 11793561.06 7562020.748 12847769.06 7136288.469 9145206.411 7201485.007 7222342.285 13415712.1 18142674.59 7805969.48 16225314.17 8564393.958 15690048.38 15318185.95 5264818.129 5806097.645 7616708.442 513000.9088 9008225.668 10090706.44 5636222.401 8261316.568 6823993.458 9484235.169 14709456.85 12425866.03 412498.0319 431238.056 2371457.134 2216426.885 2954716.418 5121100.208 8308409.151 5375686.559 xanthine 704772.0312 759605.6028 478696.7109 545572.0093 562109.8356 701956.8771 969963.9886 609514.9505 781454.7914 1243792.88 1545131.536 593189.677 816990.0789 766685.4141 486439.6341 916212.326 1500324.16 696798.038 785012.6606 949887.5099 xanthosine 8685356.263 10204782.05 6061660.565 6598102.679 4954273.606 8170614.431 5137361.903 4258974.227 3889753.265 xanthosine-5-phosphate 484210.605 426433.7597 241083.0835 609693.6056 1232652.776 1968141.97 3063329.608 2657700.186 3411017.022 5789676.404 6479483.861 4447171.25 3180499.693 1092117.605 1016103.307 6164345.193 9713072.672 8129731.577 7278804.614 4114675.651 5699653.352 6608689.91 5814010.852 3251738.294 8105853.994 6456421.733 7525771.988 7330790.662 9610056.745 14959633.05 768009.4411 5898921.803 3868337.619 5250475.666 9190761.726 7796827.715 5129015.057 626696.1167 671315.8461 8960311.826 5108855.366 6209687.626 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula id rt 1_3-Bisphosphoglyceric acid C3H8O10P2 C00236 13.87 2_3-Diphosphoglyceric acid C3H8O10P2 C01159 14.68 2-dehydro-D-gluconate C6H10O7 C00629 5 2-Hydroxy-2-methylbutanedioic acid C5H8O5 12.06 3-phospho-serine C3H8NO6P C01005 8.2 3-phosphoglycerate C3H7O7P C00197 13.58 4-aminobutyrate C4H9NO2 C00334 4 4-phosphopantothenate C9H18NO8P C03492 13.94 4-Pyridoxic acid C8H9NO4 C00847 14.14 5-aminopentanoic acid C5H11NO2 C00431 1.18 5-phosphoribosyl-1-pyrophosphate C5H13O14P3 C00119 15.13 6-phospho-D-gluconate C6H13O10P C00345 13.38 a-ketoglutarate C5H6O5 C00026 13.13 acetyl-aspartate C6H9NO5 13 acetyl-CoA C23H38N7O17P3S C00024 16.18 Acetyllysine C8H16N2O3 C02727|C12989 1.1 acetylphosphate C2H5O5P C00227 12.74 aconitate C6H6O6 C00417|C02341 14 adenine C5H5N5 C00147 3.5 adenosine 5'-phosphosulfate C10H14N5O10PS C00224 13.58 ADP-D-glucose C16H25N5O15P2 C00498 13.72 alanine/sarcosine C3H7NO2 C00213 1 Aminoadipic acid C6H11NO4 C00956 3.22 arginine C6H14N4O2 C00062 0.87 asparagine C4H8N2O3 C00152 1.15 aspartate C4H7NO4 C00049 4.28 carnitine C7H15NO3 C00318|C15025 1 CDP C9H15N3O11P2 C00112 13.53 CDP-choline C14H26N4O11P2 C00307 6.53 CDP-ethanolamine C11H20N4O11P2 C00570 6.38 Citraconic acid C5H6O4 C02226 13.29 citrate/isocitrate C6H8O7 C00158|C00311 13.6 CMP C9H14N3O8P C00055 8.61 coenzyme A C21H36N7O16P3S C00010 15.93 creatine C4H9N3O2 C00300 1.33 CTP C9H16N3O14P3 C00063 14.75 cyclic-AMP C10H12N5O6P C00575 12.97 cytidine C9H13N3O5 C00475 1.2 D-erythrose-4-phosphate C4H9O7P C00279 7.45 D-glucarate C6H10O8 C00767 13 D-gluconate C6H12O7 C00257 5 D-glucosamine-1/6-phosphate C6H14NO8P C03783 1.9 D-sedoheptulose-1/7-phosphate C7H15O10P C00281|C05382|C06222 7.29 DAL C13H23N3O6 13 dAMP C10H14N5O6P C00360 12 dATP C10H16N5O12P3 C00131 14.82 dCDP C9H15N3O10P2 C00705 13.58 dCMP C9H14N3O7P C00239 9.8 dCTP C9H16N3O13P3 C00458 14.8 dGDP/ADP C10H15N5O10P2 C00008 14 dGMP/AMP C10H14N5O7P C00362 11 dGTP/ATP C10H16N5O13P3 C00002 14.77 dihydroorotate C5H6N2O4 C00337 6.9 dihydroxy-acetone-phosphate C3H7O6P C00111 9 DL-Pipecolic Acid C6H11NO2 C00408 1.2 DLH C16H25N5O6 3.73 DLS C13H23N3O7 11.46 dTDP C10H16N2O11P2 C00363 14.41 dTMP C10H15N2O8P C00364 11.27 dTTP C10H17N2O14P3 C00459 14.75 EV C10H16N2O5 7.99 FAD C27H33N9O15P2 C00016 15 FMN C17H21N4O9P C00061 14.54 folate C19H19N7O6 C00504 13.99 fructose-1-6-bisphosphate C6H14O12P2 13.6 fructose-6-phosphate C6H13O9P C00085 7.98 fumarate C4H4O4 C00122 13.49 GDP C10H15N5O11P2 C00035 13.9 glucono-lactone C6H10O6 C00198 6.9 glucose-1-phosphate C6H13O9P C00085 7.98 glutamate C5H9NO4 C00025 3.26 glutamine C5H10N2O3 C00064 1.17 glutathione C10H17N3O6S C00051 8.02 glutathione disulfide C20H32N6O12S2 C00127 12.94 glycerate C3H6O4 C00258 6.35 GMP C10H14N5O8P C06193 10.5 GTP C10H16N5O14P3 C00044 14.92 Guanidoacetic acid C3H7N3O2 C00581 1.89 guanine C5H5N5O C00242 3.4 guanosine C10H13N5O5 C00387 4 Hexose C6H12O6 1.13 hexose-phosphate C6H13O9P C00085 7.98 histidine C6H9N3O2 C00135 0.87 homocysteic acid C4H9NO5S C16511 4.8 HVDD C19H29N6O9 9.83 Hydroxyisocaproic acid C6H12O3 HMDB00746 14.14 hydroxyproline/Aminolevulinate C5H9NO3 C01157 1.15 hypoxanthine C5H4N4O C00262 1.18 IMP C10H13N4O8P C00130 10.5 inosine C10H12N4O5 C00294 3.5 isoleucine C6H13NO2 2.22 Isopentyl-PP C10H24O7P2 15.06 Kynurenine C10H12N2O3 C00328|C01718 3.6 L-arginino-succinate C10H18N4O6 C03406 3.25 lactate C3H6O3 C00186|C00256|C01432 7.28 LD C10H18N2O5 8.65 leucine C6H13NO2 C00123 2.6 lysine C6H14N2O2 C00047 0.85 malate C4H6O5 C00149|C00497|C00711 12.7 maleic acid C4H4O4 C01384 12.71 methionine C5H11NO2S C00073 1.77 myo-inositol C6H12O6 C00137 7.2 N-acetyl-glutamate C7H11NO5 C00624 13.37 N-acetyl-glutamine C7H12N2O4 HMDB06029 7 N-Acetyl-L-alanine C5H9NO3 C01073 8.51 N-acetyl-L-ornithine C7H14N2O3 C00437 1.21 N-carbamoyl-L-aspartate C5H8N2O5 C00438 12.25 NADH C21H29N7O14P2 C00004 14.14 NADP+ C21H28N7O17P3 C00006 13.87 NADPH C21H30N7O17P3 C00005 14.87 nicotinamide mononucleotide C11H15N2O8P 1.71 nicotinate C6H5NO2 C00253 11.2 Nicotinic acid mononucleotide C11H14NO9P 11.44 O-acetyl-L-serine C5H9NO4 C00979 1.1 Octulose Bisphosphate C8H18O14P2 13.64 ornithine C5H12N2O2 C00077 1 orotate C5H4N2O4 C00295 8.1 oxaloacetate C4H4O5 C00036 13.64 pantothenate C9H17NO5 C00864 10.69 PD C9H14N2O5 4.68 PE C10H16N2O5 4.55 PEE C15H23N3O8 10.5 PEEK C21H35N5O9 3.38 Phenol Red C19H14O5S 16.91 phenylalanine C9H11NO2 C00079 4.37 Phenylpropiolic acid C9H6O2 HMDB00563 15.2 phosphoenolpyruvate C3H5O6P C00074 13.83 proline C5H9NO2 C00148 1.27 PTT C13H23N3O6 1.4 PVNF C23H33N5O6 11.64 pyridoxine C8H11NO3 C00314 1.8 Pyroglutamic acid C5H7NO3 C01879 7.69 Pyrophosphate P2H4O7 C00013 13.87 riboflavin C17H20N4O6 C00255 12.56 ribose C5H10O5 1.22 Ribose-5-phosphate C5H11O8P C00117 6 ribulose-5-phosphate C5H11O8P 7.81 S-methyl-5'-thioadenosine C11H15N5O3S C00170 11.6 SD C7H12N2O6 4.08 SDL C13H23N3O7 11.22 Sedoheptulose bisphosphate C7H16O13P2 13.64 serine C3H7NO3 C00065 1.14 SID C13H23N3O7 10.96 sn-glycerol-3-phosphate C3H9O6P C00093 7.3 succinate/Methylmalonic acid C4H6O4 C02170 11.72 thiamine C12H16N4OS C00378 1.55 Thiamine pyrophosphate C12H18N4O7P2S C00068 9.31 threonine/homoserine C4H9NO3 C00263 1 tryptophan C11H12N2O2 C00078|C00525|C00806 7.5 tyrosine C9H11NO3 C00082 2 UDP C9H14N2O12P2 C00015 13.81 UDP-D-glucose C15H24N2O17P2 C00029 13.44 UDP-D-glucuronate C15H22N2O18P2 C00167 14.68 UDP-N-acetyl-glucosamine C17H27N3O17P2 C00043 13.37 UMP C9H13N2O9P C00105 10.32 uridine C9H12N2O6 C00299 1.7 UTP C9H15N2O15P3 C00075 14.81 valine C5H11NO2 C00183 1.45 VD C9H16N2O5 6.33 VDPVNF C32H47N7O10 16.38 xanthine C5H4N4O2 C00385 2.69 xanthosine C10H12N4O6 C01762 7.77 xanthosine-5-phosphate C10H13N4O9P C00655 12.7 METABOLITES_END #END