#METABOLOMICS WORKBENCH Kaori_20250611_175209 DATATRACK_ID:6027 STUDY_ID:ST003978 ANALYSIS_ID:AN006553 PROJECT_ID:PR002491 VERSION 1 CREATED_ON June 13, 2025, 1:17 am #PROJECT PR:PROJECT_TITLE Glucose-activated JMJD1A drives visceral adipogenesis via PR:PROJECT_TITLE α-ketoglutarate-dependent chromatin remodeling PR:PROJECT_SUMMARY Understanding how extracellular glucose regulates adipose tissue remodeling is PR:PROJECT_SUMMARY key to decoding metabolic health. Here, we show that the histone demethylase PR:PROJECT_SUMMARY JMJD1A senses glucose availability via α-ketoglutarate (α-KG), a TCA cycle PR:PROJECT_SUMMARY metabolite derived from glycolysis. Upon glucose stimulation, α-KG accumulates PR:PROJECT_SUMMARY in the nucleus and activates JMJD1A to remove repressive H3K9me2 marks at PR:PROJECT_SUMMARY glycolytic and adipogenic gene loci, including Pparg. This initiates a PR:PROJECT_SUMMARY transcriptional feedforward loop that amplifies glycolysis and de novo PR:PROJECT_SUMMARY adipogenesis. Mechanistically, JMJD1A is pre-recruited to chromatin by NFIC, and PR:PROJECT_SUMMARY glucose-induced demethylation enables subsequent ChREBP binding. In vivo, mice PR:PROJECT_SUMMARY lacking JMJD1A in adipocyte precursors exhibit impaired adipose tissue PR:PROJECT_SUMMARY hyperplasia and compensatory hypertrophic expansion selectively in visceral fat, PR:PROJECT_SUMMARY resulting in metabolically unfavorable remodeling. These findings uncover a PR:PROJECT_SUMMARY glucose-sensing α-KG-JMJD1A pathway that regulates histone demethylation and de PR:PROJECT_SUMMARY novo adipogenesis, enabling adaptive expansion of visceral adipose tissue under PR:PROJECT_SUMMARY nutrient excess conditions. PR:INSTITUTE Tohoku University PR:LAST_NAME Sakai PR:FIRST_NAME Juro PR:ADDRESS 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi, 980-8575, Japan PR:EMAIL juro.sakai.b6@tohoku.ac.jp PR:PHONE +81-22-717-8117 #STUDY ST:STUDY_TITLE Glucose-activated JMJD1A drives visceral adipogenesis via ST:STUDY_TITLE α-ketoglutarate-dependent chromatin remodeling (Study part 6 of 3) ST:STUDY_SUMMARY Understanding how extracellular glucose regulates adipose tissue remodeling is ST:STUDY_SUMMARY key to decoding metabolic health. Here, we show that the histone demethylase ST:STUDY_SUMMARY JMJD1A senses glucose availability via α-ketoglutarate (α-KG), a TCA cycle ST:STUDY_SUMMARY metabolite derived from glycolysis. Upon glucose stimulation, α-KG accumulates ST:STUDY_SUMMARY in the nucleus and activates JMJD1A to remove repressive H3K9me2 marks at ST:STUDY_SUMMARY glycolytic and adipogenic gene loci, including Pparg. This initiates a ST:STUDY_SUMMARY transcriptional feedforward loop that amplifies glycolysis and de novo ST:STUDY_SUMMARY adipogenesis. Mechanistically, JMJD1A is pre-recruited to chromatin by NFIC, and ST:STUDY_SUMMARY glucose-induced demethylation enables subsequent ChREBP binding. In vivo, mice ST:STUDY_SUMMARY lacking JMJD1A in adipocyte precursors exhibit impaired adipose tissue ST:STUDY_SUMMARY hyperplasia and compensatory hypertrophic expansion selectively in visceral fat, ST:STUDY_SUMMARY resulting in metabolically unfavorable remodeling. These findings uncover a ST:STUDY_SUMMARY glucose-sensing α-KG-JMJD1A pathway that regulates histone demethylation and de ST:STUDY_SUMMARY novo adipogenesis, enabling adaptive expansion of visceral adipose tissue under ST:STUDY_SUMMARY nutrient excess conditions. ST:INSTITUTE Tohoku University ST:LAST_NAME Sakai ST:FIRST_NAME Juro ST:ADDRESS 2-1 Seiryo-machi, Aoba-ku, Sendai, Miyagi, 980-8575, Japan ST:EMAIL juro.sakai.b6@tohoku.ac.jp ST:PHONE +81-22-717-8117 ST:STUDY_COMMENTS Figure 2I #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]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 1 si-Ctr_D0 Sample source:3T3-L1 | Treatment:si-Ctr RAW_FILE_NAME(Anion)=01.mzML; RAW_FILE_NAME(Cation)=c01.mzML SUBJECT_SAMPLE_FACTORS 2 si-Ctr_D2 Sample source:3T3-L1 | Treatment:si-Ctr RAW_FILE_NAME(Anion)=02.mzML; RAW_FILE_NAME(Cation)=c02.mzML SUBJECT_SAMPLE_FACTORS 3 si-Ctr_D4 Sample source:3T3-L1 | Treatment:si-Ctr RAW_FILE_NAME(Anion)=03.mzML; RAW_FILE_NAME(Cation)=c03.mzML SUBJECT_SAMPLE_FACTORS 4 si-Ctr_D6 Sample source:3T3-L1 | Treatment:si-Ctr RAW_FILE_NAME(Anion)=04.mzML; RAW_FILE_NAME(Cation)=c04.mzML SUBJECT_SAMPLE_FACTORS 5 si-Ctr_D8 Sample source:3T3-L1 | Treatment:si-Ctr RAW_FILE_NAME(Anion)=05.mzML; RAW_FILE_NAME(Cation)=c05.mzML SUBJECT_SAMPLE_FACTORS 6 si-Idh3b_D0 Sample source:3T3-L1 | Treatment:si-Idh3b RAW_FILE_NAME(Anion)=06.mzML; RAW_FILE_NAME(Cation)=c06.mzML SUBJECT_SAMPLE_FACTORS 7 si-Idh3b_D2 Sample source:3T3-L1 | Treatment:si-Idh3b RAW_FILE_NAME(Anion)=07.mzML; RAW_FILE_NAME(Cation)=c07.mzML SUBJECT_SAMPLE_FACTORS 8 si-Idh3b_D4 Sample source:3T3-L1 | Treatment:si-Idh3b RAW_FILE_NAME(Anion)=08.mzML; RAW_FILE_NAME(Cation)=c08b.mzML SUBJECT_SAMPLE_FACTORS 9 si-Idh3b_D6 Sample source:3T3-L1 | Treatment:si-Idh3b RAW_FILE_NAME(Anion)=09.mzML; RAW_FILE_NAME(Cation)=c09.mzML SUBJECT_SAMPLE_FACTORS 10 si-Idh3b_D8 Sample source:3T3-L1 | Treatment:si-Idh3b RAW_FILE_NAME(Anion)=10.mzML; RAW_FILE_NAME(Cation)=c10.mzML #COLLECTION CO:COLLECTION_SUMMARY 3T3-L1 cells were washed twice with 5% mannitol before metabolite extraction. CO:COLLECTION_SUMMARY Aqueous metabolites were extracted with 400 µL of methanol containing three CO:COLLECTION_SUMMARY internal standards (3ISs; methionine sulfone, 2-(N-morpholino)ethanesulfonic CO:COLLECTION_SUMMARY acid [MES] and D-camphol-10-sulfonic acid [CSA]; 25 µM each) at room CO:COLLECTION_SUMMARY temperature for 10 min. Then 400 µL chloroform and 200 µL of water were added, CO:COLLECTION_SUMMARY and the solution was centrifuged at 10,000 × g for 3 min at 4 ºC. The upper CO:COLLECTION_SUMMARY aqueous layer (400 µL) was filtered through a 5 kDa cutoff filter (Millipore), CO:COLLECTION_SUMMARY and the filtrate was stored at -80 ºC until analysis. At the teime of analysis, CO:COLLECTION_SUMMARY the filtrate was thawed and centrifugally concentrated and dissolved in 25 µL CO:COLLECTION_SUMMARY of water containing reference compounds (3-aminopyrrolidine and CO:COLLECTION_SUMMARY 1,3,5-benzenetricarboxylic acid; 200 µM each). CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY 3T3-L1 preadipocytes were transfected with si-Ctr or si-Idh3b and differentiated TR:TREATMENT_SUMMARY with MDI mixture. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For metabolite extraction, the 3T3-L1 cells were washed twice with ice-cold 5% SP:SAMPLEPREP_SUMMARY mannitol solution and covered with 1 mL of methanol containing 25 µM internal SP:SAMPLEPREP_SUMMARY standards for 10 min. 400 µL of the resulting extracts were mixed with 200 µL SP:SAMPLEPREP_SUMMARY of Milli-Q water and 400 µL of chloroform. 400 µL of the aqueous solution was SP:SAMPLEPREP_SUMMARY centrifugally filtered through a 5-kDa cut-off filter (Human Metabolome SP:SAMPLEPREP_SUMMARY Technologies, Tsuruoka, Japan) to remove proteins. The filtrate was SP:SAMPLEPREP_SUMMARY centrifugally concentrated and dissolved in 50 µL of Milli-Q water that SP:SAMPLEPREP_SUMMARY contained reference compounds (200 µM each of 3-aminopyrrolidine and trimesate) SP:SAMPLEPREP_SUMMARY immediately prior to metabolome analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE CE CH:INSTRUMENT_NAME Agilent CE CH:COLUMN_NAME Fused silica capillary i. d. 50 µm x 100 cm CH:SOLVENT_A 1 M formic acid CH:SOLVENT_B N/A CH:FLOW_GRADIENT N/A CH:FLOW_RATE N/A CH:COLUMN_TEMPERATURE N/A #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6220 TOF MS:INSTRUMENT_TYPE TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS ESI-TOFMS was performed in the positive ion mode. The capillary voltage was set MS:MS_COMMENTS at 4 kV, and a flow rate of nitrogen gas (heater temperature 300°C) was set at MS:MS_COMMENTS 10 L/min. The spectrometer was scanned from m/z 50 to 1,000. Peaks were MS:MS_COMMENTS extracted using the automatic integration software MasterHands (Keio University, MS:MS_COMMENTS Tsuruoka, Japan)(Sugimoto et al., Metabolomics, 2009). Based on the in-house MS:MS_COMMENTS library, metabolites were identified from migration time and m/z. Quantification MS:MS_COMMENTS was performed using the Standard mixture measured in the same run. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS fmol / cell MS_METABOLITE_DATA_START Samples si-Ctr_D0 si-Ctr_D2 si-Ctr_D4 si-Ctr_D6 si-Ctr_D8 si-Idh3b_D0 si-Idh3b_D2 si-Idh3b_D4 si-Idh3b_D6 si-Idh3b_D8 Factors Sample source:3T3-L1 | Treatment:si-Ctr Sample source:3T3-L1 | Treatment:si-Ctr Sample source:3T3-L1 | Treatment:si-Ctr Sample source:3T3-L1 | Treatment:si-Ctr Sample source:3T3-L1 | Treatment:si-Ctr Sample source:3T3-L1 | Treatment:si-Idh3b Sample source:3T3-L1 | Treatment:si-Idh3b Sample source:3T3-L1 | Treatment:si-Idh3b Sample source:3T3-L1 | Treatment:si-Idh3b Sample source:3T3-L1 | Treatment:si-Idh3b Urea 1.2 1.1 1.1 1.0 1.5 1.1 1.4 1.3 1.2 1.5 Gly 58 25 22 23 30 49 31 34 33 34 Trimethylamine N-oxide N.D. N.D. 0.0036 0.0045 N.D. N.D. N.D. 0.0059 N.D. N.D. Isopropanolamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.014 N.D. N.D. Putrescine(1,4-Butanediamine) 0.034 0.093 0.054 0.0070 0.0061 0.031 0.048 0.043 0.023 0.012 beta-Ala 3.4 4.3 6.0 6.8 12 2.7 4.7 3.7 2.8 2.9 Ala 31 12 15 13 15 28 16 19 11 8.8 Cyclohexylamine 0.027 0.011 0.0096 0.0052 0.011 0.027 0.017 0.021 0.039 0.015 Hexylamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.0047 N.D. N.D. Cadaverine N.D. 0.0033 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. GABA 1.4 1.1 1.6 0.75 0.75 0.87 1.0 0.72 0.49 0.47 3-Aminoisobutyrate 0.021 N.D. 0.018 0.021 0.022 0.017 N.D. 0.014 N.D. N.D. 2AB 0.077 0.044 0.070 0.036 0.029 0.056 0.045 0.075 0.062 0.048 N,N-Dimethylglycine 0.013 N.D. 0.012 0.014 0.026 N.D. N.D. N.D. N.D. N.D. Choline 0.89 0.21 0.071 0.12 0.33 0.72 0.21 0.17 0.25 0.33 Ser 7.7 2.2 1.0 1.3 1.7 6.4 3.9 3.9 6.8 10 Diethanolamine 0.10 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Hypotaurine 15 8.9 6.9 7.6 9.2 14 12 10 11 11 Carnosine 0.043 0.035 0.026 0.019 0.036 0.039 0.024 0.038 0.033 0.037 Creatinine 0.076 0.12 0.10 0.096 0.14 0.068 0.087 0.090 0.085 0.11 Pro 17 6.2 3.5 2.4 3.4 13 5.6 5.9 6.6 6.4 5-Aminovalerate 0.10 0.050 0.086 0.060 0.060 0.080 0.050 0.072 0.052 0.062 Val 5.8 4.6 3.7 2.2 2.4 4.7 4.1 4.4 3.1 2.8 Betaine 0.23 0.19 0.22 0.25 0.39 0.21 0.15 0.18 0.23 0.28 Homoserine N.D. N.D. 0.036 0.028 0.027 0.035 N.D. N.D. N.D. 0.034 Thr 19 9.0 13 11 13 15 11 16 19 24 Cys N.D. N.D. N.D. 0.0053 0.0055 N.D. N.D. 0.041 N.D. N.D. Nicotinamide 0.025 0.092 0.029 0.025 0.040 0.022 0.054 0.032 0.021 0.028 Taurine 2.1 0.98 0.98 1.3 2.2 1.9 1.5 1.7 2.3 2.7 Melamine 0.026 0.014 N.D. N.D. 0.0069 0.027 0.015 N.D. N.D. 0.017 1-Amino-1-cyclopentanecarboxylate N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.0037 N.D. N.D. Pipecolate N.D. N.D. 0.0055 0.0040 0.0049 N.D. N.D. N.D. N.D. N.D. Metformin N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.0029 N.D. N.D. N-Acetylputrescine N.D. N.D. N.D. N.D. N.D. N.D. 0.0076 0.0074 N.D. N.D. Agmatine N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.0031 N.D. N.D. Hydroxyproline 0.32 0.19 0.42 0.34 0.32 0.27 0.24 0.35 0.35 0.37 Creatine 10 8.7 12 11 16 7.7 8.1 12 10 9.9 Ile 5.3 4.7 3.1 1.3 1.2 4.1 3.9 4.1 2.3 1.8 Leu 5.7 5.0 3.3 1.4 1.3 4.7 4.4 4.3 2.3 1.7 Gly-Gly 0.065 0.043 0.047 0.028 0.026 0.059 0.037 0.055 0.040 0.055 Asn 4.8 1.6 2.1 3.2 4.1 4.1 2.2 2.6 4.5 6.2 Ornithine 0.23 0.15 0.037 0.0096 0.015 0.21 0.16 0.13 0.11 0.068 Asp 10 1.2 2.4 2.0 2.1 8.6 4.1 6.4 11 11 Adenine N.D. N.D. 0.019 0.0089 N.D. N.D. N.D. N.D. N.D. N.D. Hypoxanthine N.D. N.D. N.D. N.D. N.D. N.D. 0.031 N.D. N.D. N.D. 1-Methylnicotinamide 1.5 1.1 1.3 1.9 3.1 1.2 0.98 1.1 2.1 2.7 Trigonelline N.D. N.D. 0.0039 N.D. N.D. N.D. N.D. N.D. N.D. N.D. Urocanate N.D. N.D. 0.0097 N.D. N.D. N.D. N.D. N.D. N.D. N.D. Tropine 0.0052 N.D. N.D. N.D. N.D. 0.0030 N.D. 0.0065 N.D. N.D. Proline betaine N.D. N.D. N.D. 0.0018 0.0036 N.D. N.D. 0.0059 N.D. N.D. N1,N12-Diacetylspermine N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.0026 N.D. N.D. Acetylcholine 0.0063 0.0029 0.0012 0.0037 0.019 0.0044 0.0058 0.0070 0.0037 0.0039 gamma-Butyrobetaine 0.057 0.033 0.045 0.059 0.098 0.054 0.029 0.044 0.062 0.071 Spermidine N.D. 0.017 0.028 N.D. N.D. N.D. N.D. N.D. N.D. N.D. Gln 47 26 37 36 48 39 32 43 68 94 Lys 2.0 4.0 1.9 1.5 2.0 1.7 3.0 2.2 2.1 2.3 Glu 69 22 18 10 14 59 39 43 41 40 Met 1.9 1.4 1.5 1.3 1.8 1.5 1.3 1.6 1.5 1.5 His 1.3 0.97 1.1 0.95 1.2 1.0 0.90 1.1 1.0 1.0 alpha-Aminoadipate 0.17 0.33 0.39 0.091 0.095 0.13 0.16 0.15 0.12 0.11 Carnitine 0.49 0.16 0.35 0.44 0.75 0.33 0.15 0.34 0.48 0.61 5-Hydroxylysine 0.0075 0.0079 0.0047 N.D. N.D. 0.0084 N.D. 0.0099 N.D. N.D. Pterin N.D. N.D. N.D. N.D. 0.0031 N.D. N.D. N.D. N.D. N.D. Methionine sulfoxide 0.083 0.056 0.045 0.033 0.038 0.086 0.081 0.043 0.037 0.041 Phe 3.5 2.8 3.3 2.8 3.5 2.7 2.5 3.0 2.5 2.6 Pyridoxal 0.016 0.024 0.011 0.0084 0.016 N.D. N.D. N.D. 0.011 0.013 3-Methoxytyramine N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.0064 N.D. N.D. Synephrine N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.0069 N.D. N.D. Pyridoxine 0.035 0.10 0.059 0.039 0.065 0.025 0.056 0.033 0.018 0.036 3-Methylhistidine 0.033 0.034 0.039 0.045 0.045 0.028 0.033 0.030 0.032 0.035 Arg 0.91 1.8 0.61 0.55 0.75 0.78 1.3 0.82 0.82 0.89 Citrulline 0.016 0.029 0.034 0.041 0.056 N.D. 0.025 0.023 0.031 0.049 Serotonin 0.011 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Tyr 4.3 3.2 4.1 3.5 4.1 3.4 3.0 3.7 3.3 3.6 Phosphorylcholine 8.4 2.6 3.3 1.7 2.4 11 6.4 8.6 8.8 9.3 N1-Acetylspermidine N.D. N.D. 0.026 0.0058 N.D. N.D. 0.011 0.0055 N.D. N.D. Gly-Leu 0.014 N.D. 0.0060 N.D. 0.0068 N.D. 0.0073 0.0096 N.D. 0.013 N-epsilon-Acetyllysine N.D. N.D. N.D. N.D. 0.0064 N.D. N.D. N.D. N.D. N.D. N6,N6,N6-Trimethyllysine 0.016 0.0078 0.0073 0.0079 0.0082 0.014 0.0067 0.013 0.012 0.011 SAH N.D. N.D. 0.0069 0.0060 0.0082 N.D. N.D. N.D. N.D. N.D. N-Acetylhistidine 0.0047 N.D. 0.0038 0.0038 0.0038 N.D. N.D. N.D. N.D. N.D. SAM+ 0.37 0.32 0.52 0.25 0.28 0.28 0.32 0.35 0.35 0.33 ADMA N.D. 0.013 0.014 0.012 0.011 N.D. N.D. N.D. N.D. N.D. o-Acetylcarnitine 0.27 0.14 0.11 0.14 0.22 0.26 0.17 0.12 0.19 0.15 Trp 0.94 0.82 0.81 0.77 1.0 0.85 0.76 0.84 0.79 0.81 Kynurenine N.D. N.D. 0.0081 0.0052 0.0081 0.0073 N.D. 0.0079 N.D. N.D. Cysteine-glutathione disulphide -Divalent N.D. 0.26 0.051 0.029 0.0063 0.053 0.053 0.068 0.054 0.049 N-Acetylglucosamine 0.12 0.045 0.023 N.D. N.D. 0.081 0.049 0.054 0.047 0.058 2'-Deoxycytidine 0.021 0.013 0.0074 0.0095 0.0070 0.017 0.016 0.011 0.012 0.0099 N1,N8-Diacetylspermidine N.D. N.D. 0.00040 N.D. N.D. 0.0021 N.D. 0.0047 N.D. N.D. Thymidine 20 19 11 5.2 6.3 22 26 21 16 16 Cytidine 0.041 0.075 0.099 0.042 0.032 0.025 0.060 0.061 0.052 0.046 Pyridoxamine 5'-phosphate 0.023 0.015 0.016 0.011 0.021 0.022 0.020 0.026 0.021 0.014 5'-Deoxyadenosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.0044 N.D. N.D. Purine riboside N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2'-Deoxyinosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 7,8-Dihydroneopterin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Glycerophosphorylcholine 1.9 0.37 0.70 1.3 1.6 1.8 0.52 0.82 2.1 2.8 Thiamine N.D. 0.18 0.021 0.0064 0.0076 0.013 0.097 0.025 N.D. N.D. N6-Methyl-2'-deoxyadenosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Adenosine 0.0058 N.D. 0.0025 N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2'-Deoxyguanosine 0.020 N.D. N.D. 0.0051 N.D. N.D. N.D. N.D. N.D. N.D. Homocystine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Inosine N.D. N.D. 0.020 0.0067 N.D. N.D. 0.022 0.021 N.D. N.D. Glu-Glu N.D. N.D. 0.0039 N.D. N.D. 0.025 N.D. N.D. N.D. N.D. Saccharopine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1-Methyladenosine N.D. 0.0034 0.0014 0.0044 0.0063 N.D. 0.0032 0.0029 N.D. 0.0055 Guanosine 0.0086 N.D. 0.0065 0.0038 0.0054 0.0088 0.0060 0.0053 N.D. N.D. Xanthosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Ophthalmate 0.020 0.041 0.028 0.014 0.012 0.021 0.067 0.080 0.045 0.037 Argininosuccinate 0.089 0.051 0.14 0.15 0.21 0.056 0.098 0.12 0.24 0.19 5-Methylthioadenosine 0.037 0.031 0.041 0.019 0.031 0.031 0.031 0.033 0.028 0.031 Glutathione(ox) 1.1 3.9 3.7 1.8 0.98 1.4 1.5 3.9 2.9 3.2 N-alpha-Benzenolarginine ethylester N.D. N.D. N.D. N.D. N.D. 0.0022 N.D. N.D. N.D. N.D. 3-Iodotyrosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Glutathione(red) 14 0.33 6.3 5.6 9.1 10 7.6 6.9 10 8.3 Phe-Phe N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. AICAR N.D. N.D. 0.029 N.D. N.D. N.D. N.D. N.D. N.D. N.D. Thiamine monophosphate N.D. N.D. 0.0060 0.0068 0.020 N.D. 0.011 0.019 0.011 0.022 Tetrahydropalmatine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. TRH N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Riboflavin N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. S-Lactoylglutathione 0.020 N.D. 0.015 0.0092 0.012 0.011 0.012 0.014 0.016 0.017 Leu-Leu-Tyr N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3,5-Diiodo-tyrosine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Methyltetrahydrofolate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 0.037 3,3',5-Triiodothyronine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID PubChem Urea C00086 1176 Gly C00037 5257127 Trimethylamine N-oxide C01104 1145 Isopropanolamine C05771 4 Putrescine(1,4-Butanediamine) C00134 1045 beta-Ala C00099 239 Ala C00041 5950 Cyclohexylamine C00571 7965 Hexylamine C08306 8102 Cadaverine C01672 273 GABA C00334 119 3-Aminoisobutyrate C05145 25201103 2AB C02356 6971252 N,N-Dimethylglycine C01026 673 Choline C00114 305 Ser C00065 5951 Diethanolamine C06772 8113 Hypotaurine C00519 107812 Carnosine C00386 439224 Creatinine C00791 588 Pro C00148 145742 5-Aminovalerate C00431 138 Val C00183 6287 Betaine C00719 247 Homoserine C00263 12647 Thr C00188 6288 Cys C00097 5862 Nicotinamide C00153 936 Taurine C00245 1123 Melamine C08737 7955 1-Amino-1-cyclopentanecarboxylate C03969 2901 Pipecolate C00408 439227 Metformin C07151 4091 N-Acetylputrescine C02714 122356 Agmatine C00179 199 Hydroxyproline C01157 5810 Creatine C00300 586 Ile C00407 6306 Leu C00123 6106 Gly-Gly C02037 11163 Asn C00152 6267 Ornithine C00077 6262 Asp C00049 44367445 Adenine C00147 190 Hypoxanthine C00262 790 1-Methylnicotinamide C02918 457 Trigonelline C01004 5570 Urocanate C00785 1178 Tropine C00729 No result Proline betaine C10172 115244 N1,N12-Diacetylspermine C03413 132680 Acetylcholine C01996 187 gamma-Butyrobetaine C01181 134 Spermidine C00315 1102 Gln C00064 5961 Lys C00047 5962 Glu C00025 33032 Met C00073 6137 His C00135 6274 alpha-Aminoadipate C00956 59066632 Carnitine C00318 10917 5-Hydroxylysine C16741 3032849 Pterin C00715 73000 Methionine sulfoxide C02989 1548907 Phe C00079 6140 Pyridoxal C00250 1050 3-Methoxytyramine C05587 1669 Synephrine C04548 667452 Pyridoxine C00314 1054 3-Methylhistidine C01152 64969 Arg C00062 28782 Citrulline C00327 6992098 Serotonin C00780 5202 Tyr C00082 6057 Phosphorylcholine C00588 1014 N1-Acetylspermidine C00612 496 Gly-Leu C02155 1548899 N-epsilon-Acetyllysine C02727 6991978 N6,N6,N6-Trimethyllysine C03793 440120 SAH C00021 25246222 N-Acetylhistidine C02997 51669405 SAM+ C00019 24762165 ADMA C03626 123831 o-Acetylcarnitine C02571 439756 Trp C00078 6305 Kynurenine C00328 161166 Cysteine-glutathione disulphide -Divalent - 10455148 N-Acetylglucosamine C00140 439174 2'-Deoxycytidine C00881 13711 N1,N8-Diacetylspermidine - 389613 Thymidine C00214 5789 Cytidine C00475 6175 Pyridoxamine 5'-phosphate C00647 1053 5'-Deoxyadenosine C05198 439182 Purine riboside C01736 68368 2'-Deoxyinosine C05512 65058 7,8-Dihydroneopterin C04874 65074 Glycerophosphorylcholine C00670 657272 Thiamine C00378 1130 N6-Methyl-2'-deoxyadenosine C03795 168948 Adenosine C00212 60961 2'-Deoxyguanosine C00330 187790 Homocystine C01817 10010 Inosine C00294 6021 Glu-Glu C01425 439500 Saccharopine C00449 160556 1-Methyladenosine C02494 27476 Guanosine C00387 6802 Xanthosine C01762 64959 Ophthalmate C21016 7018721 Argininosuccinate C03406 16950 5-Methylthioadenosine C00170 439176 Glutathione(ox) C00127 11215652 N-alpha-Benzenolarginine ethylester C01670 439543 3-Iodotyrosine C02515 439744 Glutathione(red) C00051 124886 Phe-Phe - 6993089 AICAR C04677 65110 Thiamine monophosphate C01081 1131 Tetrahydropalmatine C02890 72301 TRH C03958 638678 Riboflavin C00255 493570 S-Lactoylglutathione C03451 440018 Leu-Leu-Tyr C11331 7098697 3,5-Diiodo-tyrosine C01060 7058163 5-Methyltetrahydrofolate C00440 439234 3,3',5-Triiodothyronine C02465 5920 METABOLITES_END #END