#METABOLOMICS WORKBENCH oilkay_20241205_115113 DATATRACK_ID:5430 STUDY_ID:ST003647 ANALYSIS_ID:AN005990 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 nucleotides CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME EMD Millipore Chromolith FastGradient RP-18e 50-2mm CH:COLUMN_TEMPERATURE 40 CH:FLOW_GRADIENT t=0, B=0%; t=22 min., B=40%; t=22.5 min., B=95% followed by 1 min wash and 2 min CH:FLOW_GRADIENT re-equilibration at the initial conditions. CH:FLOW_RATE 0.3 ml/min CH:SOLVENT_A 95% water, 5% methanol and 5 mM dimethylhexylamine adjusted to pH 7.5 with CH:SOLVENT_A acetic acid CH:SOLVENT_B 20% water, 80% methanol and 10 mM dimethylhexylamine 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 All nucleotides were detected in the negative ion MRM mode based on a MS:MS_COMMENTS characteristic fragmentation reaction as descibed in Gooding JR, Jensen MV, Dai MS:MS_COMMENTS X, Wenner BR, Lu D, Arumugam R, Ferdaoussi M, MacDonald PE, Newgard CB. Cell MS:MS_COMMENTS Rep. 2015 Oct 6;13(1):157-167. Adenylosuccinate Is an Insulin Secretagogue MS:MS_COMMENTS Derived from Glucose-Induced Purine Metabolism. PMID: 26411681. PMCID: MS:MS_COMMENTS PMC4598307. TargetLynx was used for data processing. MS:ION_MODE NEGATIVE #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 Adenylsuccinic acid 1.6009 1.8541 1.3146 1.7545 1.2293 2.3107 5.0981 5.0730 6.5450 3.2187 ADP 44.4280 27.2454 38.4544 44.8900 42.8254 27.8189 44.1720 56.0825 52.8706 39.6590 AICAR 0.0085 0.0167 0.0080 0.0085 0.0223 0.0145 0.0022 0.0031 0.0064 0.0030 AICAR-P 0.1082 0.2847 0.3236 0.1703 0.4690 0.2238 0.0407 0.0215 0.2027 0.0216 AMP 48.6695 39.6468 34.7521 46.6623 34.0174 35.6418 77.3371 88.4368 77.0510 70.2518 ATP 67.2815 25.2783 50.1405 74.5166 77.8041 26.0410 28.0941 46.7540 34.3937 23.9135 GDP 4.3930 2.6993 3.8156 2.8771 3.8972 3.2787 3.6235 5.0288 5.9477 2.7309 GMP 3.0569 3.5743 2.8266 3.4006 2.7854 3.6170 6.6376 6.5458 7.4114 5.9264 GTP 6.7747 2.4657 4.5982 6.2479 6.9886 2.7061 1.9180 3.6526 2.7341 1.9366 IMP 2.4044 1.6775 0.8655 1.6814 1.6302 1.4674 4.3240 4.9645 3.2997 5.9772 NAD 13.7750 10.7725 13.2083 14.9781 13.2631 10.8995 26.8199 30.2760 30.7506 28.8991 NADH 2.2459 2.2419 2.5059 2.4488 1.6473 1.8922 4.0692 5.9545 4.6147 4.3472 NADP 3.1554 1.9423 2.3453 2.5207 2.6916 2.1744 3.6700 4.6046 4.4449 3.9121 NADPH 1.9007 1.4998 1.6460 2.1111 1.8459 1.3165 3.1418 4.8839 3.4649 3.6562 Nicotinic acid mononucleotide 0.0058 0.0054 0.0013 0.0036 0.0020 0.0043 0.0094 0.0178 0.0205 0.0142 Phosphoribosyl pyrophosphate 0.2360 0.1608 0.4017 0.2225 0.4151 0.2519 0.0442 0.1283 0.0749 0.0312 UDP 3.8692 2.9125 4.5861 2.9150 4.6840 3.8725 3.1687 3.1050 4.3978 2.0776 UMP 6.5977 9.1300 6.4680 7.2818 6.8546 7.5459 11.7536 11.5830 14.1381 11.1604 UTP 4.6263 2.0225 4.5624 5.1228 6.6816 2.1882 1.4182 2.0265 1.9487 1.2662 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 Adenylsuccinic acid ADP AICAR AICAR-P AMP ATP GDP GMP GTP IMP NAD NADH NADP NADPH Nicotinic acid mononucleotide Phosphoribosyl pyrophosphate UDP UMP UTP METABOLITES_END #END