#METABOLOMICS WORKBENCH oilkay_20241205_115113 DATATRACK_ID:5430 STUDY_ID:ST003647 ANALYSIS_ID:AN005989 PROJECT_ID:PR002257 VERSION 1 CREATED_ON 01-03-2025 #PROJECT PR:PROJECT_TITLE Integration of metabolomic and transcriptomic analyses reveals novel regulatory PR:PROJECT_TITLE functions of the ChREBP transcription factor in energy metabolism. PR:PROJECT_SUMMARY In this study, we have integrated transcriptomic and metabolomic analyses to PR:PROJECT_SUMMARY better understand the role of the metabolic regulatory transcription factor PR:PROJECT_SUMMARY ChREBP in coordinated regulation of key pathways of intermediary metabolism in PR:PROJECT_SUMMARY the liver. We have uncovered regulatory effects of ChREBP on metabolic PR:PROJECT_SUMMARY homeostasis beyond itâs historical role in control of core glucose and lipid PR:PROJECT_SUMMARY metabolic pathways, to now include effects on co-factors, transporters for amino PR:PROJECT_SUMMARY acids and other small molecules, nucleotide metabolism, and control of PR:PROJECT_SUMMARY mitochondrial substrate supply. PR:INSTITUTE Duke University PR:LAST_NAME Ilkayeva PR:FIRST_NAME Olga PR:ADDRESS 300 N Duke St, Durham, NC, 27701, USA PR:EMAIL olga.ilkayeva@duke.edu PR:PHONE 919-479-2370 PR:DOI http://dx.doi.org/10.21228/M8WC2H #STUDY ST:STUDY_TITLE Targeted mass spec-based metabolomic and clinical analyte analyses of liver and ST:STUDY_TITLE plasma samples from rats with and without hepatic knockdown of ChREBP ST:STUDY_TITLE expression. ST:STUDY_SUMMARY The transcription factor Carbohydrate Response Element-Binding Protein (ChREBP) ST:STUDY_SUMMARY activates genes of glucose, fructose and lipid metabolism in response to ST:STUDY_SUMMARY carbohydrate feeding. Integrated transcriptomic and metabolomic analyses in rats ST:STUDY_SUMMARY with GalNac-siRNA-mediated suppression of ChREBP expression (GalNac-siChREBP ST:STUDY_SUMMARY treatment) in liver revealed novel ChREBP functions relative to rats treated ST:STUDY_SUMMARY with a GalNac vector expressing a non-targeting siRNA (GalNac-siCtrl treatment). ST:STUDY_SUMMARY GalNac-siChREBP treatment reduced expression of genes involved in coenzyme A ST:STUDY_SUMMARY (CoA) biosynthesis, and lowered CoA and short chain acyl CoA levels. Despite ST:STUDY_SUMMARY suppression of pyruvate kinase, pyruvate levels were maintained, possibly via ST:STUDY_SUMMARY increased expression of pyruvate and amino acid transporters. In addition, ST:STUDY_SUMMARY expression of multiple anaplerotic enzymes was decreased by GalNac-siChREBP ST:STUDY_SUMMARY treatment, affecting TCA cycle intermediates. Finally, GalNAc-siChREBP treatment ST:STUDY_SUMMARY suppressed late steps in purine and NAD synthesis, with increases in precursors ST:STUDY_SUMMARY and lowering of end products in both pathways. In sum, our studies have revealed ST:STUDY_SUMMARY functions of ChREBP beyond its canonical roles in carbohydrate and lipid ST:STUDY_SUMMARY metabolism to include regulation of substrate transport, mitochondrial function, ST:STUDY_SUMMARY and cellular energy balance. ST:INSTITUTE Duke University ST:LAST_NAME Ilkayeva ST:FIRST_NAME Olga ST:ADDRESS 300 N Duke St, Durham, NC, 27701, USA ST:EMAIL olga.ilkayeva@duke.edu ST:PHONE 919-479-2370 ST:SUBMIT_DATE 2024-12-05 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS R01E4-1 1 Treatment:GalNAc-siChrebp | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a032; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a032; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a020; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a032; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a028; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a012; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a018 SUBJECT_SAMPLE_FACTORS R01E4-19 19 Treatment:GalNAc-siChrebp | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a050; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a050; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a038; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a050; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a023; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a030; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a036 SUBJECT_SAMPLE_FACTORS R01E4-21 21 Treatment:GalNAc-siChrebp | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a052; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a052; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a040; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a052; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a038; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a032; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a038 SUBJECT_SAMPLE_FACTORS R01E4-3 3 Treatment:GalNAc-siChrebp | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a034; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a034; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a022; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a034; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a033; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a014; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a020 SUBJECT_SAMPLE_FACTORS R01E4-6 6 Treatment:GalNAc-siChrebp | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a037; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a037; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a025; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a037; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a031; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a017; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a023 SUBJECT_SAMPLE_FACTORS R01E4-7 7 Treatment:GalNAc-siChrebp | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a038; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a038; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a026; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a038; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a042; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a018; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a024 SUBJECT_SAMPLE_FACTORS R01E4-15 15 Treatment:GalNAc-siCtrl | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a046; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a046; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a034; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a046; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a029; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a026; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a032 SUBJECT_SAMPLE_FACTORS R01E4-17 17 Treatment:GalNAc-siCtrl | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a048; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a048; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a036; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a048; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a021; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a028; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a034 SUBJECT_SAMPLE_FACTORS R01E4-18 18 Treatment:GalNAc-siCtrl | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a049; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a049; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a037; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a049; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a045; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a029; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a035 SUBJECT_SAMPLE_FACTORS R01E4-2 2 Treatment:GalNAc-siCtrl | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a033; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a033; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a021; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a033; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a026; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a013; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a019 SUBJECT_SAMPLE_FACTORS R01E4-10 10 Treatment:Sal | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a041; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=- SUBJECT_SAMPLE_FACTORS R01E4-11 11 Treatment:Sal | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a042; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=- SUBJECT_SAMPLE_FACTORS R01E4-13 13 Treatment:Sal | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a044; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=- SUBJECT_SAMPLE_FACTORS R01E4-4 4 Treatment:Sal | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a035; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=- SUBJECT_SAMPLE_FACTORS R01E4-9 9 Treatment:Sal | Sample source:liver RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a040; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=- #COLLECTION CO:COLLECTION_SUMMARY On day 28 between 8 AM-noon, animals were anesthetized and sacrificed for CO:COLLECTION_SUMMARY collection of plasma and tissue samples. To minimize tissue harvest time, a team CO:COLLECTION_SUMMARY of 3 scientists collected tissues from the animals via the following procedure. CO:COLLECTION_SUMMARY Animals were anesthetized with 250 mg/kg Nembutal, and the abdomen and diaphragm CO:COLLECTION_SUMMARY were surgically opened. Five ml of blood was drawn from the heart, and one CO:COLLECTION_SUMMARY operator centrifuged the sample, collected the plasma, and transferred it to CO:COLLECTION_SUMMARY Eppendorf tubes for rapid freezing by submersion in liquid nitrogen. The other CO:COLLECTION_SUMMARY two team members proceeded to immediate surgical excision of the heart and CO:COLLECTION_SUMMARY liver, which were briefly rinsed with ice-cold PBS, quickly wrapped in aluminum CO:COLLECTION_SUMMARY foil, and then frozen by submersion in liquid nitrogen. The time elapsed between CO:COLLECTION_SUMMARY beginning of surgery to removal and freezing of the heart and liver was less CO:COLLECTION_SUMMARY than 2 minutes. Other tissues (skeletal muscle, adipose, kidney) were collected CO:COLLECTION_SUMMARY after excision of the heart and liver and rapidly frozen in liquid nitrogen. All CO:COLLECTION_SUMMARY tissues were stored at -80C until processing for metabolomic, transcriptomic, CO:COLLECTION_SUMMARY and proteomic analyses. CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY All procedures were approved by Duke University Institutional Animal Care and TR:TREATMENT_SUMMARY Use Committee and performed according to the regulations of the committee. TR:TREATMENT_SUMMARY Breeding pairs of Obese Prone CD (OP/CD) Sprague Dawley rats were gifts from Dr. TR:TREATMENT_SUMMARY Warren Grill and Dr. Eric Gonzalez, Duke University, and a colony was TR:TREATMENT_SUMMARY established and maintained by Duke Laboratory Animal Resources (DLAR). Starting TR:TREATMENT_SUMMARY at 4 weeks of age, male OP/CD rats were single-housed with a light cycle of 7 AM TR:TREATMENT_SUMMARY on/7 PM off, and fed ad libitum with a high-fat/high-sucrose (HF/HS) diet TR:TREATMENT_SUMMARY (D12451i, Research Diets) containing 47% fat (kcal) and 17% sucrose (kcal). Body TR:TREATMENT_SUMMARY weight and food intake were monitored weekly. After 9 weeks of feeding of the TR:TREATMENT_SUMMARY HF/HS diet, plasma samples were collected via saphenous vein bleeding. One week TR:TREATMENT_SUMMARY later, animals received an initial subcutaneous injection of one of two TR:TREATMENT_SUMMARY GalNAc-siRNA constructs at a dose of 9 mg/kg body weight, or an equal volume of TR:TREATMENT_SUMMARY the diluent (PBS), (see below for description of the two GalNAc-siRNA reagents). TR:TREATMENT_SUMMARY Additional doses of each GalNAc-siRNA construct were injected at 10, 18 and 25 TR:TREATMENT_SUMMARY days after the first injection. Animals were fasted overnight one day after the TR:TREATMENT_SUMMARY third injection (day 19), and subjected to an intraperitoneal glucose tolerance TR:TREATMENT_SUMMARY test (IPGTT) on the following day. Animals were weighed and a glucose solution TR:TREATMENT_SUMMARY (1g/kg body weight) was administered via intraperitoneal injection. Tail blood TR:TREATMENT_SUMMARY samples were obtained and glucose levels measured with a blood glucose meter TR:TREATMENT_SUMMARY (CVSHealth) immediately before and at 30,60, 90, 120, and 180 minutes after TR:TREATMENT_SUMMARY bolus injection of glucose. One day after the fourth GalNAc-siRNA or saline TR:TREATMENT_SUMMARY injection on day 25, plasma samples were collected via saphenous vein bleeding. TR:TREATMENT_SUMMARY A bolus of deuterium oxide (D2O, 10 ml/kg body weight, Sigma Aldrich) was then TR:TREATMENT_SUMMARY given by intraperitoneal injection and followed by free access to drinking water TR:TREATMENT_SUMMARY supplemented with 4% D2O for the rest of the experimental period. Saphenous TR:TREATMENT_SUMMARY plasma samples were collected again one day after the bolus delivery of D2O (day TR:TREATMENT_SUMMARY 27). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY To prepare samples for analyses, frozen livers were pulverized under liquid SP:SAMPLEPREP_SUMMARY nitrogen, and weighed aliquots of the powder (50 mg powdered tissue/aliquot) SP:SAMPLEPREP_SUMMARY were transferred into pre-frozen Eppendorf tubes for further homogenization at SP:SAMPLEPREP_SUMMARY 50 mg of wet tissue per 1 ml of homogenate using the following buffers: 50% SP:SAMPLEPREP_SUMMARY acetonitrile/0.3% formic acid for the analysis of amino acids, acylcarnitines, SP:SAMPLEPREP_SUMMARY organic acids, creatine, and phosphocreatine; 3M perchloric acid for the SP:SAMPLEPREP_SUMMARY analysis of branched-chain keto acids; 0.3M perchloric acid for the analysis of SP:SAMPLEPREP_SUMMARY short-chain acyl CoAs; 100% methanol for the analysis of nucleotides. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY LC-MS/MS analysis of organic acids CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:COLUMN_TEMPERATURE 50 CH:FLOW_GRADIENT t=0, B=25%; t=6 min., B=33%; t=9.5 min., B=95% followed by 1 min wash and 1 min CH:FLOW_GRADIENT re-equilibration at the initial conditions. CH:FLOW_RATE 0.4 ml/min CH:SOLVENT_A 0.1% formic acid in water CH:SOLVENT_B acetonitrile CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Waters Xevo TQ-XS MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:MS_COMMENTS The following mass transitions were monitored in the positive ion mode: Lactate MS:MS_COMMENTS 196/91; Pyruvate 299/91; Succinate 329/91; Fumarate 327/91; Malate 345/222; MS:MS_COMMENTS α-Ketoglutarate 462/91; Citrate, Isocitrate 508/91; Oxaloacetate 448/91; MS:MS_COMMENTS Lactate-d3 199/91; Pyruvate-13C3 302/91; Succininate-13C4 333/91; Fumarate-d2 MS:MS_COMMENTS 329/91; Malate-d3 348/225; α-Ketoglutarate-13C4 466/91; Citrate-d4 512/91. MS:MS_COMMENTS Metabolite concentrations were computed using a ratio to heavy isotope-labeled MS:MS_COMMENTS internal standards. TargetLynx was used for data processing. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS µM MS_METABOLITE_DATA_START Samples 1 19 21 3 6 7 15 17 18 2 Factors Treatment:GalNAc-siChrebp | Sample source:liver Treatment:GalNAc-siChrebp | Sample source:liver Treatment:GalNAc-siChrebp | Sample source:liver Treatment:GalNAc-siChrebp | Sample source:liver Treatment:GalNAc-siChrebp | Sample source:liver Treatment:GalNAc-siChrebp | Sample source:liver Treatment:GalNAc-siCtrl | Sample source:liver Treatment:GalNAc-siCtrl | Sample source:liver Treatment:GalNAc-siCtrl | Sample source:liver Treatment:GalNAc-siCtrl | Sample source:liver Citric acid 4.0161 2.3552 4.2947 3.4266 4.0978 2.9041 1.3283 1.5536 1.6988 1.8677 Fumaric acid 10.4056 8.3874 9.3759 10.0575 6.7535 10.4984 10.8125 12.5356 15.6720 11.4688 Isocitric acid 0.0546 0.0340 0.0523 0.0428 0.0476 0.0470 0.0166 0.0217 0.0184 0.0244 Lactic acid 217.2830 146.2890 163.2986 180.0132 172.9189 183.8701 131.6940 98.7589 144.7032 85.0353 Malic acid 44.9232 36.1261 40.0437 47.2511 31.3823 45.6033 53.8935 59.7298 68.5744 51.9659 Oxaloacetic acid 0.0044 0.0048 0.0053 0.0042 0.0027 0.0043 0.0090 0.0075 0.0085 0.0065 Pyruvic acid 1.5200 1.0205 0.8309 0.9540 1.2466 1.1471 0.7036 0.7171 1.1928 0.6412 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant Citric acid Fumaric acid Isocitric acid Lactic acid Malic acid Oxaloacetic acid Pyruvic acid METABOLITES_END #END