#METABOLOMICS WORKBENCH Mahanlab_2025_20250703_231533 DATATRACK_ID:6133 STUDY_ID:ST004042 ANALYSIS_ID:AN006681 PROJECT_ID:PR002534 VERSION 1 CREATED_ON 08-04-2025 #PROJECT PR:PROJECT_TITLE Untargeted metabolomics analysis on mouse hepatocytes PR:PROJECT_SUMMARY To determine whether specific metabolites are associated with the induction of PR:PROJECT_SUMMARY P2-HNF4α in liver disease and hepatocellular carcinoma (HCC), we performed PR:PROJECT_SUMMARY untargeted metabolomics on hepatocytes isolated from wild-type mouse liver, PR:PROJECT_SUMMARY which predominantly express the tumor-suppressive P1-HNF4α isoform. Using PR:PROJECT_SUMMARY lentiviral transduction, we overexpressed the P2-HNF4α isoform and conducted PR:PROJECT_SUMMARY metabolite profiling on cell lysates from both control and PR:PROJECT_SUMMARY P2-HNF4α-overexpressing cells. Data analysis was performed using MetaboAnalyst PR:PROJECT_SUMMARY (v5.0), resulting in a list of approximately 120 matched compounds representing PR:PROJECT_SUMMARY significantly predicted metabolites. This study aims to uncover metabolic PR:PROJECT_SUMMARY signatures associated with P2-HNF4α expression, offering insights into its PR:PROJECT_SUMMARY potential role in liver pathogenesis and tumor progression. PR:INSTITUTE University of Texas Health Science Center at Houston PR:DEPARTMENT IMM PR:LABORATORY Mahan Lab PR:LAST_NAME Fekry PR:FIRST_NAME Baharan PR:ADDRESS 1825 Pressler St, Houston TX 77030. USA, PR:EMAIL Baharan.Fekry@uth.tmc.edu PR:PHONE 7135002487 PR:DOI http://dx.doi.org/10.21228/M83G11 #STUDY ST:STUDY_TITLE Untargeted Metabolomics Identifies Oncometabolites Induced by P2-HNF4α ST:STUDY_TITLE Overexpression in Hepatocytes ST:STUDY_SUMMARY This study explores the metabolic impact of P2-HNF4α overexpression in primary ST:STUDY_SUMMARY mouse hepatocytes. Using untargeted metabolomics, we compared metabolite ST:STUDY_SUMMARY profiles between control and P2-HNF4α-overexpressing cells to identify ST:STUDY_SUMMARY metabolic pathways potentially altered in liver disease and HCC. ST:INSTITUTE University of Tennessee Health Science Center ST:DEPARTMENT IMM ST:LABORATORY Mahan Lab ST:LAST_NAME Fekry ST:FIRST_NAME Baharan ST:ADDRESS 1825 Pressler St, Houston TX 77030. USA. ST:EMAIL Baharan.Fekry@uth.tmc.edu ST:PHONE 18434693199 ST:SUBMIT_DATE 2025-07-03 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - HEP_6FP1 Sample source:wildtype | Treatment:GFP SUBJECT_SAMPLE_FACTORS - HEP_6FP2 Sample source:wildtype | Treatment:GFP SUBJECT_SAMPLE_FACTORS - HEP_6FP3 Sample source:wildtype | Treatment:GFP SUBJECT_SAMPLE_FACTORS - HEP_A8_1 Sample source:wildtype | Treatment:P2_HNF4a SUBJECT_SAMPLE_FACTORS - HEP_A8_2 Sample source:wildtype | Treatment:P2_HNF4a SUBJECT_SAMPLE_FACTORS - HEP_A8_3 Sample source:wildtype | Treatment:P2_HNF4a #COLLECTION CO:COLLECTION_SUMMARY Hepatocytes were isolated from mouse livers and transduced in culture with CO:COLLECTION_SUMMARY either GFP or P2-HNF4α. Following treatment, cells were collected and subjected CO:COLLECTION_SUMMARY to untargeted metabolomics analysis. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY Primary hepatocytes were isolated from mouse livers and cultured in vitro. Cells TR:TREATMENT_SUMMARY were transduced with either control GFP or P2-HNF4α-expressing lentivirus. TR:TREATMENT_SUMMARY Following 48 hours of transduction, cells were harvested and processed for TR:TREATMENT_SUMMARY untargeted metabolomics analysis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were diluted in a solution containing 25% acetonitrile, 75% water, and SP:SAMPLEPREP_SUMMARY 0.1% formic acid prior to LC-MS analysis. The diluted samples were injected into SP:SAMPLEPREP_SUMMARY an Agilent 1200 Series HPLC system coupled to an Agilent 6538 UHD Accurate-Mass SP:SAMPLEPREP_SUMMARY Q-TOF mass spectrometer. Chromatographic separation was performed using an SP:SAMPLEPREP_SUMMARY Agilent ZORBAX Extend-C18 Rapid Resolution HT column (2.1 × 50 mm, 1.8 µm) SP:SAMPLEPREP_SUMMARY under a 20-minute gradient of 25% to 90% Buffer B (80% acetonitrile, 20% water, SP:SAMPLEPREP_SUMMARY 0.1% formic acid) at a flow rate of 0.2 mL/min. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Liquid chromatography was performed using an Agilent 1200 Series HPLC system CH:CHROMATOGRAPHY_SUMMARY equipped with an Agilent ZORBAX Extend-C18 Rapid Resolution HT column (2.1 × 50 CH:CHROMATOGRAPHY_SUMMARY mm, 1.8 µm). The mobile phases consisted of Buffer A (2% acetonitrile, 98% CH:CHROMATOGRAPHY_SUMMARY water, 0.1% formic acid) and Buffer B (80% acetonitrile, 20% water, 0.1% formic CH:CHROMATOGRAPHY_SUMMARY acid). A linear gradient from 25% to 90% Buffer B was applied over 20 minutes at CH:CHROMATOGRAPHY_SUMMARY a flow rate of 0.2 mL/min to achieve metabolite separation prior to MS analysis. CH:INSTRUMENT_NAME Agilent 1200 Series HPLC coupled to Agilent 6538 UHD Accurate-Mass Q-TOF CH:COLUMN_NAME Agilent ZORBAX Extend-C18 Rapid Resolution HT (2.1 × 50 mm, 1.8 µm) CH:COLUMN_TEMPERATURE 21°C CH:FLOW_GRADIENT 25% to 90% Solvent B over 20 minutes CH:FLOW_RATE 0.2 mL/min CH:SOLVENT_A 2% Acetonitrile/98% Water; 0.1% formic acid CH:SOLVENT_B 80% Acetonitrile/20% Water; 0.1% formic acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6538 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:MS_COMMENTS MS1 spectra were acquired over a mass range of 100–2000 m/z using electrospray MS:MS_COMMENTS ionization (ESI) in positive mode. Acquisition was performed under the following MS:MS_COMMENTS conditions: capillary voltage of 3.5 kV, drying gas flow rate of 5 L/min, MS:MS_COMMENTS nebulizer pressure of 5 psi, and source temperature of 300°C. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS LC/MS Peak intensity MS_METABOLITE_DATA_START Samples HEP_6FP1 HEP_6FP2 HEP_6FP3 HEP_A8_1 HEP_A8_2 HEP_A8_3 Factors Sample source:wildtype | Treatment:GFP Sample source:wildtype | Treatment:GFP Sample source:wildtype | Treatment:GFP Sample source:wildtype | Treatment:P2_HNF4a Sample source:wildtype | Treatment:P2_HNF4a Sample source:wildtype | Treatment:P2_HNF4a 11_12_15-THETA 0.0007 0.0004 0.0003 11_14_15-THETA 0.0008 0.0004 0.0003 11b_17a_21-Trihydroxypreg-nenolone 0.0011 11b_21-Dihydroxy-3_20-oxo-5b-pregnan-18-al 0.0013 11-cis-Retinaldehyde 0.0003 11-cis-Retinol 0.0010 0.0003 11H-14_15-EETA 0.0014 1_2-Dihydronaphthalene-1_2-diol 0.0004 12(R)-HPETE 0.0006 12(S)-HPETE 0.0003 15H-11_12-EETA 0.0007 15(S)-HPETE 0.0000 16a-Hydroxyandrost-4-ene-3_17-dione 0.0009 0.0010 16b-Hydroxyestrone 0.0004 17alpha_21-Dihydroxypregnenolone 0.0002 17-beta-Estradiol-3-glucuronide 0.0007 0.0005 0.0004 17-Hydroxyprogesterone 0.0010 19-Hydroxyandrost-4-ene-3_17-dione 0.0004 0.0010 19-Oxoandrost-4-ene-3_17-dione 0.0006 0.0005 19-Oxotestosterone 0.0006 0.0010 1a_11b-Dihydro-4_9-dimethylbenz[a]anthra[3_4-b]oxirene 0.0014 (1aalpha_2beta_3alpha_11calpha)-1a_2_3_11c-Tetrahydro-6_11-dimethylbenzo[6_7]phenanthro[3_4-b]oxirene-2_3-diol 0.0013 0.0002 1-Methylxanthine 0.0002 1-Naphthol 0.0004 0.0006 1-Nitronaphthalene-5_6-oxide 0.0002 1-Nitronaphthalene-7_8-oxide 0.0005 1-Pyrroline-4-hydroxy-2-carboxylate 0.0001 0.0004 20a-Dihydroprogesterone 0.0007 20-Hydroxy-leukotriene B4 0.0010 0.0012 21-Deoxycortisol 0.0017 24-Hydroxycalcitriol 0.0004 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid 0.0002 0.0000 2-Hydroxyestrone 0.0004 2-Methoxyestradiol 0.0008 0.0010 2-Methoxy-estradiol-17b 3-glucuronide 0.0011 2-Methoxyestrone 0.0006 0.0010 2-Oxo-4-methylthiobutanoic acid 0.0001 0.0003 2-Oxoarginine 0.0000 0.0000 2-(S-Glutathionyl)acetyl glutathione 0.0002 3_4-Dihydroxyphenylacetaldehyde 0.0003 3_4-Dihydroxyphenylglycol 0.0007 0.0004 3a_21-Dihydroxy-5b-pregnane-11_20-dione 0.0015 3a_7a_12a-Trihydroxy-5b-cholestan-26-al 0.0009 3a_7a-Dihydroxycoprostanic acid 0.0005 3beta_7alpha-Dihydroxy-5-cholestenoate 0.0004 3beta-Hydroxypregn-5-en-20-one sulfate 0.0002 0.0005 3-Hydroxylidocaine 0.0006 0.0001 3-ketosphinganine 0.0185 0.0001 3-Methoxy-4-hydroxyphenylglycolaldehyde 0.0003 0.0001 4a-Carboxy-4b-methyl-5a-cholesta-8_24-dien-3b-ol 0.0002 4a-Hydroxytetrahydrobiopterin 0.0002 4-Guanidinobutanoic acid 0.0004 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone 0.0005 4-Hydroxydebrisoquine 0.0001 0.0008 4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone 0.0003 4-Hydroxyphenylacetaldehyde 0.0002 0.0003 4-Hydroxyphenylpyruvic acid 0.0002 0.0000 4-Hydroxy tolbutamide 0.0012 0.0004 0.0012 0.0001 0.0012 4-Pyridoxic acid 0.0012 4-Trimethylammoniobutanoic acid 0.0006 5_10-Methylene-THF 0.0010 5_6-Dihydro-5-fluorouracil 0.0003 5_7_24(28)-Ergostatrienol 0.0003 5-Acetylamino-6-formylamino-3-methyluracil 0.0000 5a-Dihydrotestosterone sulfate 0.0005 0.0003 0.0014 5-alpha-Dihydrotestosterone glucuronide 0.0020 0.0000 0.0021 0.0016 5-Androstenediol 0.0009 5a-Pregnane-3_20-dione 0.0003 5b-Dihydrotestosterone 0.0011 5-Fluorouridine 0.0004 0.0007 5-Formiminotetrahydrofolic acid 0.0003 5-Hydroxykynurenine 0.0004 5-L-Glutamyl-taurine 0.0003 5-Methoxyindoleacetate 0.0004 5-Methyltetrahydrofolic acid 0.0023 0.0013 5^-Methylthioadenosine 0.0001 5-phosphonooxy-L-lysine 0.0006 5(S)-Hydroperoxyeicosatetraenoic acid 0.0000 6-Hydroxymelatonin 0.0001 6-Methylthiopurine 0.0004 7_12-Dimethylbenz[a]anthracene 5_6-oxide 0.0013 7_8-Dihydroneopterin 0.0003 7alpha-Hydroxy-3-oxo-4-cholestenoate 0.0013 7-Hydroxymethyl-12-methylbenz[a]anthracene 0.0014 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate 0.0008 7-Methylxanthine 0.0002 8-Isoprostaglandin F2a 0.0015 0.0004 0.0006 0.0003 8(S)-HPETE 0.0003 9-cis-Retinal 0.0003 9-cis-Retinoic acid 0.0002 9-cis-Retinol 0.0010 0.0003 9-Hydroxybenzo[a]pyrene 0.0006 Acetylcholine chloride 0.0007 Acetyl-CoA 0.0005 Adenosine 0.0013 0.0004 0.0012 ADP-ribose 2^-phosphate 0.0024 Adrenic acid 0.0007 Adrenosterone 0.0004 0.0009 Aflatoxin B1 0.0005 all-trans-Decaprenyl diphosphate 0.0004 All-trans-retinoic acid 0.0001 alpha-Fluoro-beta-ureidopropionic acid 0.0003 Alpha-Lactose 0.0013 Alpha-Tocotrienol 0.0007 0.0014 0.0012 Aminoadipic acid 0.0000 Androstanedione 0.0002 Androstenedione 0.0008 Androsterone 0.0010 Androsterone glucuronide 0.0002 Anserine 0.0000 0.0002 Arachidic acid 0.0004 Arachidonic acid 0.0015 Argininosuccinic acid 0.0006 B-Carotene 0.0018 Benzo[a]pyrene 0.0005 Benzo[a]pyrene-4_5-oxide 0.0006 Benzo[a]pyrene-7_8-dihydrodiol-9_10-oxide 0.0003 Benzo[a]pyrene-7_8-diol 0.0013 0.0004 Benzo[a]pyrene-7_8-oxide 0.0005 Benzo[a]pyrene-9_10-oxide 0.0005 beta-Alanyl-L-arginine 0.0003 beta-Alanyl-L-lysine 0.0001 Betaine 0.0003 0.0005 0.0005 Beta-tocopherol 0.0012 0.0013 0.0012 0.0012 Bilirubin 0.0005 0.0024 0.0032 0.0012 0.0010 0.0008 Bilirubin glucuronide 0.0030 0.0031 0.0007 0.0008 Biliverdin 0.0006 Biocytin 0.0009 0.0012 0.0014 0.0015 Biotin 0.0008 0.0011 0.0012 Biotinyl-5^-AMP 0.0001 Cadaverine 0.0004 Caffeine 0.0002 Calcidiol 0.0002 0.0008 0.0012 Capric acid 0.0004 Carnosine 0.0002 CerP(d18:1/12:0) 0.0031 0.0014 Chenodeoxycholic acid 0.0013 Chenodeoxyglycocholic acid 0.0015 0.0019 0.0007 0.0008 Chitin 0.0012 0.0030 Cholesterol 0.0001 0.0037 0.0007 Cholesterol sulfate 0.0009 0.0005 Choline 0.0003 0.0007 Chondroitin 0.0007 Citalopram aldehyde 0.0009 0.0010 CMP-N-trimethyl-2-aminoethylphosphonate 0.0009 Codeine-6-glucuronide 0.0004 0.0004 Coproporphyrin III 0.0004 Coproporphyrinogen I 0.0004 Coproporphyrinogen III 0.0006 Cortexolone 0.0000 Corticosterone 0.0010 Cytidine 0.0006 D-4^-Phosphopantothenate 0.0005 Debrisoquine 0.0002 Dehydroepiandrosterone 0.0002 Dehydroepiandrosterone sulfate 0.0001 Deoxycorticosterone 0.0005 Deoxycytidine 0.0005 0.0008 Deoxyguanosine 0.0013 0.0004 0.0012 Deoxyinosine 0.0004 0.0010 Deoxyribose 1-phosphate 0.0006 Deoxyribose 5-phosphate 0.0004 D-Erythrose 4-phosphate 0.0004 DG(20:0/20:0/0:0) 0.0025 D-Glutamic acid 0.0000 0.0001 D-Glutamine 0.0004 Didemethylcitalopram 0.0005 0.0009 Dihydrocortisol 0.0011 Dihydrofolic acid 0.0020 Dihydrotestosterone 0.0014 0.0004 0.0007 Dihydrouracil 0.0000 Dimethylglycine 0.0001 D-Maltose 0.0013 Docosa-4_7_10_13_16-pentaenoyl CoA 0.0016 0.0004 0.0046 Docosahexaenoic acid 0.0010 0.0004 Dodecanoic acid 0.0004 Dolichyl b-D-glucosyl phosphate 0.0001 Dopamine 0.0006 0.0004 0.0000 Dopamine 3-O-sulfate 0.0002 D-Pantothenoyl-L-cysteine 0.0000 0.0012 0.0001 D-Proline 0.0002 D-Ribose 0.0004 D-Xylose 0.0003 D-Xylulose 0.0001 Eicosapentaenoic acid 0.0010 0.0014 0.0007 0.0016 Elaidic acid 0.0018 0.0006 Enol-phenylpyruvate 0.0001 0.0000 Estradiol 0.0007 Estrone 0.0001 Estrone glucuronide 0.0011 0.0020 0.0000 0.0017 0.0020 Estrone sulfate 0.0007 0.0004 0.0001 0.0002 Etiocholanedione 0.0007 Etiocholanolone 0.0004 Etiocholanolone glucuronide 0.0003 Farnesyl pyrophosphate 0.0007 Formiminoglutamic acid 0.0003 Formylanthranilic acid 0.0001 (Gal)2 (GlcA)1 (Xyl)1 (Ser)1 0.0001 (Gal)2 (Xyl)1 (Ser)1 0.0003 Gamma-Aminobutyric acid 0.0001 Geranylgeranyl-PP 0.0008 (GlcA)1 (GlcNAc)1 0.0001 Gluconic acid 0.0005 Gluconolactone 0.0003 Glutarylcarnitine 0.0087 0.0015 Glyceric acid 0.0000 Glycerol 3-phosphate 0.0001 Glycocholic acid 0.0007 0.0020 0.0016 0.0000 0.0022 Guanosine 0.0001 0.0001 Guanosine monophosphate 0.0007 0.0010 Gulonic acid 0.0004 Heptadecanoic acid 0.0005 0.0013 Homocarnosine 0.0007 0.0004 Homovanillic acid 0.0003 0.0001 Indolepyruvate 0.0006 L-3-Hydroxykynurenine 0.0004 L-4-Hydroxyglutamate semialdehyde 0.0000 0.0001 L-Alpha-aminobutyric acid 0.0001 L-Arabinose 0.0004 L-Asparagine 0.0005 Lc4Cer 0.0005 L-Cystathionine 0.0001 L-Cystine 0.0002 0.0005 Leukotriene A4 0.0004 Leukotriene B4 0.0000 Leukotriene C4 0.0028 0.0020 0.0013 0.0024 Leukotriene D4 0.0001 L-Glutamic acid 0.0005 0.0005 L-Glutamine 0.0004 L-Glyceric acid 0.0005 0.0004 L-Gulonolactone 0.0002 Linoleic acid 0.0012 Liothyronine 0.0008 0.0004 L-Methionine 0.0005 L-Octanoylcarnitine 0.0127 0.0013 L-Proline 0.0002 L-Threo-2-pentulose 0.0003 L-Tryptophan 0.0003 0.0013 L-Tyrosine 0.0005 0.0002 0.0006 L-Valine 0.0003 0.0005 0.0005 LysoPC(0:0/18:0) 0.0006 0.0002 0.0002 LysoSM(d18:1) 0.0007 0.0002 Maleylacetoacetic acid 0.0003 0.0002 Malonyl-Carnitin 0.0008 0.0005 Maltotriose 0.0023 Menaquinol 0.0005 Metanephrine 0.0007 Mevalonic acid 0.0005 Myristic acid 0.0007 0.0012 N10-Formyl-THF 0.0000 0.0019 0.0013 N(1)-(5-Phospho-D-ribosyl)glycinamide 0.0005 N(2)-Formyl-N(1)-(5-phospho-D-ribosyl)glycinamide 0.0003 N6_N6_N6-Trimethyl-L-lysine 0.0003 0.0004 NA 0.0004 0.0004 0.0003 0.0003 N-Acetylaspartylglutamylglutamate 0.0014 N-Acetyl-D-Glucosamine 6-Phosphate 0.0004 N-Acetyl-D-mannosamine 6-phosphate 0.0010 N-Acetylneuraminate 0.0007 0.0007 N-Acetylputrescine 0.0000 NADH 0.0002 Naphthalene-1_2-diol 0.0004 Naphthalene epoxide 0.0004 0.0006 Nervonic acid 0.0004 0.0008 Nicotinamide riboside 0.0001 0.0000 Nicotinamide ribotide 0.0004 Nicotinic acid adenine dinucleotide phosphate 0.0002 N(omega)-Hydroxyarginine 0.0004 0.0006 NPC 0.0009 Obtusifoliol 0.0008 Omeprazole 0.0000 0.0017 OPC4-CoA 0.0001 O-Phospho-4-hydroxy-L-threonine 0.0000 Ophthalmic acid 0.0000 Orotidylic acid 0.0010 Ortho-Hydroxyphenylacetic acid 0.0000 Oxalacetic acid 0.0001 Oxidized glutathione 0.0025 0.0025 Oxoadipic acid 0.0005 Oxoglutaric acid 0.0002 0.0003 Palmitic acid 0.0004 Pantothenic acid 0.0003 0.0010 0.0004 Pentadecanoic acid 0.0009 Pentaglutamyl folate 0.0042 0.0037 Phenylacetic acid 0.0002 0.0001 Phenylethylamine 0.0001 Phenylpyruvic acid 0.0001 0.0000 p-Hydroxyphenylacetic acid 0.0002 Pregnenolone 0.0004 Presqualene diphosphate 0.0004 Propinol adenylate 0.0002 Prostaglandin D2 0.0018 0.0004 0.0009 0.0008 Prostaglandin E2 0.0018 0.0004 0.0009 0.0008 Prostaglandin F2a 0.0006 0.0004 0.0003 Prostaglandin H2 0.0000 0.0004 Prostaglandin I2 0.0007 0.0000 Protoporphyrin IX 0.0009 0.0004 Protoporphyrinogen IX 0.0002 Putrescine 0.0001 Pyridoxamine 0.0006 Pyroglutamic acid 0.0001 0.0004 Pyrrolidonecarboxylic acid 0.0001 0.0004 Pyrroline hydroxycarboxylic acid 0.0002 0.0004 (R)-3-Ureidoisobutyrate 0.0004 (R)-b-aminoisobutyric acid 0.0001 0.0001 0.0004 Retinal 0.0003 Retinoyl b-glucuronide 0.0001 0.0003 0.0020 Riboflavin 0.0000 0.0000 Riboflavin reduced 0.0006 S-Adenosylhomocysteine 0.0000 (S)-b-aminoisobutyric acid 0.0001 0.0001 0.0004 Selenomethionine 0.0003 Serotonin 0.0003 SN-38 0.0001 SN38 glucuronide 0.0005 Sphinganine 1-phosphate 0.0002 0.0019 0.0019 Sphingosine 0.0001 Sphingosine 1-phosphate 0.0008 0.0000 Squalene 0.0004 Stachyose 0.0000 Stearidonic acid 0.0006 0.0008 Sucrose 0.0013 Tamoxifen N-oxide 0.0016 T antigen 0.0006 0.0002 Taurochenodesoxycholic acid 0.0011 0.0018 0.0021 0.0016 0.0009 0.0006 Taurocholic acid 0.0013 0.0019 0.0021 0.0010 Testosterone 0.0003 Tetracosahexaenoic acid 0.0008 0.0001 0.0010 Tetracosanoic acid 0.0007 Tetrahydrocortisol 0.0001 Tetrahydrofolic acid 0.0009 0.0001 0.0005 0.0012 0.0019 Tetrahydrofolyl-[Glu](n) 0.0012 TG(8:0/8:0/8:0) 0.0021 0.0009 0.0001 0.0025 THF-L-glutamate 0.0003 Thiamine 0.0008 Thiamine monophosphate 0.0014 Thiamine pyrophosphate 0.0005 Thromboxane A2 0.0018 0.0004 0.0009 0.0008 Thymidine 0.0004 Thyroxine 0.0022 0.0025 trans-3_4-Dihydro-3_4-dihydroxy-7_12-dimethylbenz[a]anthracene 0.0002 trans-5_6-Dihydro-5_6-dihydroxy-7_12-dimethylbenz[a]anthracene 0.0002 Trehalose 0.0013 Triiodothyronine sulfate 0.0014 Trypanothione 0.0017 Tyramine-O-sulfate 0.0001 0.0005 Uracil 0.0006 Ureidopropionic acid 0.0005 Uridine 0.0005 0.0007 0.0009 0.0000 0.0006 Uridine 5^-monophosphate 0.0008 Uridine triphosphate 0.0014 Urobilinogen 0.0017 0.0000 0.0003 Vaccenic acid 0.0018 0.0006 Vitamin A 0.0010 0.0003 Vitamin D3 0.0016 0.0022 0.0000 0.0010 Xanthosine 0.0000 (Xyl)1 (Ser)1 0.0003 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 11,12,15-THETA 11,14,15-THETA 11b,17a,21-Trihydroxypreg-nenolone 11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al 11-cis-Retinaldehyde 11-cis-Retinol 11H-14,15-EETA 1,2-Dihydronaphthalene-1,2-diol 12(R)-HPETE 12(S)-HPETE 15H-11,12-EETA 15(S)-HPETE 16a-Hydroxyandrost-4-ene-3,17-dione 16b-Hydroxyestrone 17alpha,21-Dihydroxypregnenolone 17-beta-Estradiol-3-glucuronide 17-Hydroxyprogesterone 19-Hydroxyandrost-4-ene-3,17-dione 19-Oxoandrost-4-ene-3,17-dione 19-Oxotestosterone 1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene (1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol 1-Methylxanthine 1-Naphthol 1-Nitronaphthalene-5,6-oxide 1-Nitronaphthalene-7,8-oxide 1-Pyrroline-4-hydroxy-2-carboxylate 20a-Dihydroprogesterone 20-Hydroxy-leukotriene B4 21-Deoxycortisol 24-Hydroxycalcitriol 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid 2-Hydroxyestrone 2-Methoxyestradiol 2-Methoxy-estradiol-17b 3-glucuronide 2-Methoxyestrone 2-Oxo-4-methylthiobutanoic acid 2-Oxoarginine 2-(S-Glutathionyl)acetyl glutathione 3,4-Dihydroxyphenylacetaldehyde 3,4-Dihydroxyphenylglycol 3a,21-Dihydroxy-5b-pregnane-11,20-dione 3a,7a,12a-Trihydroxy-5b-cholestan-26-al 3a,7a-Dihydroxycoprostanic acid 3beta,7alpha-Dihydroxy-5-cholestenoate 3beta-Hydroxypregn-5-en-20-one sulfate 3-Hydroxylidocaine 3-ketosphinganine 3-Methoxy-4-hydroxyphenylglycolaldehyde 4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol 4a-Hydroxytetrahydrobiopterin 4-Guanidinobutanoic acid 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone 4-Hydroxydebrisoquine 4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone 4-Hydroxyphenylacetaldehyde 4-Hydroxyphenylpyruvic acid 4-Hydroxy tolbutamide 4-Pyridoxic acid 4-Trimethylammoniobutanoic acid 5,10-Methylene-THF 5,6-Dihydro-5-fluorouracil 5,7,24(28)-Ergostatrienol 5-Acetylamino-6-formylamino-3-methyluracil 5a-Dihydrotestosterone sulfate 5-alpha-Dihydrotestosterone glucuronide 5-Androstenediol 5a-Pregnane-3,20-dione 5b-Dihydrotestosterone 5-Fluorouridine 5-Formiminotetrahydrofolic acid 5-Hydroxykynurenine 5-L-Glutamyl-taurine 5-Methoxyindoleacetate 5-Methyltetrahydrofolic acid 5'-Methylthioadenosine 5-phosphonooxy-L-lysine 5(S)-Hydroperoxyeicosatetraenoic acid 6-Hydroxymelatonin 6-Methylthiopurine 7,12-Dimethylbenz[a]anthracene 5,6-oxide 7,8-Dihydroneopterin 7alpha-Hydroxy-3-oxo-4-cholestenoate 7-Hydroxymethyl-12-methylbenz[a]anthracene 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate 7-Methylxanthine 8-Isoprostaglandin F2a 8(S)-HPETE 9-cis-Retinal 9-cis-Retinoic acid 9-cis-Retinol 9-Hydroxybenzo[a]pyrene Acetylcholine chloride Acetyl-CoA Adenosine ADP-ribose 2'-phosphate Adrenic acid Adrenosterone Aflatoxin B1 all-trans-Decaprenyl diphosphate All-trans-retinoic acid alpha-Fluoro-beta-ureidopropionic acid Alpha-Lactose Alpha-Tocotrienol Aminoadipic acid Androstanedione Androstenedione Androsterone Androsterone glucuronide Anserine Arachidic acid Arachidonic acid Argininosuccinic acid B-Carotene Benzo[a]pyrene Benzo[a]pyrene-4,5-oxide Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide Benzo[a]pyrene-7,8-diol Benzo[a]pyrene-7,8-oxide Benzo[a]pyrene-9,10-oxide beta-Alanyl-L-arginine beta-Alanyl-L-lysine Betaine Beta-tocopherol Bilirubin Bilirubin glucuronide Biliverdin Biocytin Biotin Biotinyl-5'-AMP Cadaverine Caffeine Calcidiol Capric acid Carnosine CerP(d18:1/12:0) Chenodeoxycholic acid Chenodeoxyglycocholic acid Chitin Cholesterol Cholesterol sulfate Choline Chondroitin Citalopram aldehyde CMP-N-trimethyl-2-aminoethylphosphonate Codeine-6-glucuronide Coproporphyrin III Coproporphyrinogen I Coproporphyrinogen III Cortexolone Corticosterone Cytidine D-4'-Phosphopantothenate Debrisoquine Dehydroepiandrosterone Dehydroepiandrosterone sulfate Deoxycorticosterone Deoxycytidine Deoxyguanosine Deoxyinosine Deoxyribose 1-phosphate Deoxyribose 5-phosphate D-Erythrose 4-phosphate DG(20:0/20:0/0:0) D-Glutamic acid D-Glutamine Didemethylcitalopram Dihydrocortisol Dihydrofolic acid Dihydrotestosterone Dihydrouracil Dimethylglycine D-Maltose Docosa-4,7,10,13,16-pentaenoyl CoA Docosahexaenoic acid Dodecanoic acid Dolichyl b-D-glucosyl phosphate Dopamine Dopamine 3-O-sulfate D-Pantothenoyl-L-cysteine D-Proline D-Ribose D-Xylose D-Xylulose Eicosapentaenoic acid Elaidic acid Enol-phenylpyruvate Estradiol Estrone Estrone glucuronide Estrone sulfate Etiocholanedione Etiocholanolone Etiocholanolone glucuronide Farnesyl pyrophosphate Formiminoglutamic acid Formylanthranilic acid (Gal)2 (GlcA)1 (Xyl)1 (Ser)1 (Gal)2 (Xyl)1 (Ser)1 Gamma-Aminobutyric acid Geranylgeranyl-PP (GlcA)1 (GlcNAc)1 Gluconic acid Gluconolactone Glutarylcarnitine Glyceric acid Glycerol 3-phosphate Glycocholic acid Guanosine Guanosine monophosphate Gulonic acid Heptadecanoic acid Homocarnosine Homovanillic acid Indolepyruvate L-3-Hydroxykynurenine L-4-Hydroxyglutamate semialdehyde L-Alpha-aminobutyric acid L-Arabinose L-Asparagine Lc4Cer L-Cystathionine L-Cystine Leukotriene A4 Leukotriene B4 Leukotriene C4 Leukotriene D4 L-Glutamic acid L-Glutamine L-Glyceric acid L-Gulonolactone Linoleic acid Liothyronine L-Methionine L-Octanoylcarnitine L-Proline L-Threo-2-pentulose L-Tryptophan L-Tyrosine L-Valine LysoPC(0:0/18:0) LysoSM(d18:1) Maleylacetoacetic acid Malonyl-Carnitin Maltotriose Menaquinol Metanephrine Mevalonic acid Myristic acid N10-Formyl-THF N(1)-(5-Phospho-D-ribosyl)glycinamide N(2)-Formyl-N(1)-(5-phospho-D-ribosyl)glycinamide N6,N6,N6-Trimethyl-L-lysine NA N-Acetylaspartylglutamylglutamate N-Acetyl-D-Glucosamine 6-Phosphate N-Acetyl-D-mannosamine 6-phosphate N-Acetylneuraminate N-Acetylputrescine NADH Naphthalene-1,2-diol Naphthalene epoxide Nervonic acid Nicotinamide riboside Nicotinamide ribotide Nicotinic acid adenine dinucleotide phosphate N(omega)-Hydroxyarginine NPC Obtusifoliol Omeprazole OPC4-CoA O-Phospho-4-hydroxy-L-threonine Ophthalmic acid Orotidylic acid Ortho-Hydroxyphenylacetic acid Oxalacetic acid Oxidized glutathione Oxoadipic acid Oxoglutaric acid Palmitic acid Pantothenic acid Pentadecanoic acid Pentaglutamyl folate Phenylacetic acid Phenylethylamine Phenylpyruvic acid p-Hydroxyphenylacetic acid Pregnenolone Presqualene diphosphate Propinol adenylate Prostaglandin D2 Prostaglandin E2 Prostaglandin F2a Prostaglandin H2 Prostaglandin I2 Protoporphyrin IX Protoporphyrinogen IX Putrescine Pyridoxamine Pyroglutamic acid Pyrrolidonecarboxylic acid Pyrroline hydroxycarboxylic acid (R)-3-Ureidoisobutyrate (R)-b-aminoisobutyric acid Retinal Retinoyl b-glucuronide Riboflavin Riboflavin reduced S-Adenosylhomocysteine (S)-b-aminoisobutyric acid Selenomethionine Serotonin SN-38 SN38 glucuronide Sphinganine 1-phosphate Sphingosine Sphingosine 1-phosphate Squalene Stachyose Stearidonic acid Sucrose Tamoxifen N-oxide T antigen Taurochenodesoxycholic acid Taurocholic acid Testosterone Tetracosahexaenoic acid Tetracosanoic acid Tetrahydrocortisol Tetrahydrofolic acid Tetrahydrofolyl-[Glu](n) TG(8:0/8:0/8:0) THF-L-glutamate Thiamine Thiamine monophosphate Thiamine pyrophosphate Thromboxane A2 Thymidine Thyroxine trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene Trehalose Triiodothyronine sulfate Trypanothione Tyramine-O-sulfate Uracil Ureidopropionic acid Uridine Uridine 5'-monophosphate Uridine triphosphate Urobilinogen Vaccenic acid Vitamin A Vitamin D3 Xanthosine (Xyl)1 (Ser)1 METABOLITES_END #END