#METABOLOMICS WORKBENCH Kaori_20250611_171539 DATATRACK_ID:6025 STUDY_ID:ST003976 ANALYSIS_ID:AN006549 PROJECT_ID:PR002491
VERSION             	1
CREATED_ON             	June 13, 2025, 1:13 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 1)
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 1C, 1D, S1F
#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           	1A	3T3-L1_D0_A	Sample source:3T3-L1 | Treatment:-	RAW_FILE_NAME(Anion)=1A.mzML; RAW_FILE_NAME(Cation)=01A.mzML
SUBJECT_SAMPLE_FACTORS           	1B	3T3-L1_D0_B	Sample source:3T3-L1 | Treatment:-	RAW_FILE_NAME(Anion)=1B.mzML; RAW_FILE_NAME(Cation)=01B.mzML
SUBJECT_SAMPLE_FACTORS           	1C	3T3-L1_D0_C	Sample source:3T3-L1 | Treatment:-	RAW_FILE_NAME(Anion)=1C.mzML; RAW_FILE_NAME(Cation)=01C.mzML
SUBJECT_SAMPLE_FACTORS           	2A	3T3-L1_D2_A	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=2A.mzML; RAW_FILE_NAME(Cation)=02A.mzML
SUBJECT_SAMPLE_FACTORS           	2B	3T3-L1_D2_B	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=2B.mzML; RAW_FILE_NAME(Cation)=02B.mzML
SUBJECT_SAMPLE_FACTORS           	2C	3T3-L1_D2_C	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=2C.mzML; RAW_FILE_NAME(Cation)=02C.mzML
SUBJECT_SAMPLE_FACTORS           	3A	3T3-L1_D4_A	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=3Ab.mzML; RAW_FILE_NAME(Cation)=03A.mzML
SUBJECT_SAMPLE_FACTORS           	3B	3T3-L1_D4_B	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=3B.mzML; RAW_FILE_NAME(Cation)=03B.mzML
SUBJECT_SAMPLE_FACTORS           	3C	3T3-L1_D4_C	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=3C.mzML; RAW_FILE_NAME(Cation)=03C.mzML
SUBJECT_SAMPLE_FACTORS           	4A	3T3-L1_D6_A	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=4A.mzML; RAW_FILE_NAME(Cation)=04A.mzML
SUBJECT_SAMPLE_FACTORS           	4B	3T3-L1_D6_B	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=4B.mzML; RAW_FILE_NAME(Cation)=04B.mzML
SUBJECT_SAMPLE_FACTORS           	4C	3T3-L1_D6_C	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=4C.mzML; RAW_FILE_NAME(Cation)=04C.mzML
SUBJECT_SAMPLE_FACTORS           	5A	3T3-L1_D8_A	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=5A.mzML; RAW_FILE_NAME(Cation)=05A.mzML
SUBJECT_SAMPLE_FACTORS           	5B	3T3-L1_D8_B	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=5B.mzML; RAW_FILE_NAME(Cation)=05B.mzML
SUBJECT_SAMPLE_FACTORS           	5C	3T3-L1_D8_C	Sample source:3T3-L1 | Treatment:MDI	RAW_FILE_NAME(Anion)=5C.mzML; RAW_FILE_NAME(Cation)=05C.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 differentiated with MDI (IBMX, dexamethasone, and
TR:TREATMENT_SUMMARY             	insulin) 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	3T3-L1_D0_A	3T3-L1_D0_B	3T3-L1_D0_C	3T3-L1_D2_A	3T3-L1_D2_B	3T3-L1_D2_C	3T3-L1_D4_A	3T3-L1_D4_B	3T3-L1_D4_C	3T3-L1_D6_A	3T3-L1_D6_B	3T3-L1_D6_C	3T3-L1_D8_A	3T3-L1_D8_B	3T3-L1_D8_C
Factors	Sample source:3T3-L1 | Treatment:-	Sample source:3T3-L1 | Treatment:-	Sample source:3T3-L1 | Treatment:-	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI	Sample source:3T3-L1 | Treatment:MDI
Urea	0.98	1.5	1.2	0.95	0.86	1.1	1.2	1.0	1.2	0.90	0.84	0.82	0.62	0.61	0.72
Gly	55	53	47	24	24	24	33	28	29	22	22	20	19	16	17
Trimethylamine N-oxide	N.D.	N.D.	N.D.	N.D.	N.D.	0.0048	N.D.	0.0044	N.D.	N.D.	N.D.	0.0041	N.D.	N.D.	0.0020
Putrescine(1,4-Butanediamine)	0.022	0.020	0.018	0.12	0.12	0.14	0.035	0.029	0.028	0.0074	0.0083	0.0080	0.0040	0.0046	0.0061
beta-Ala	3.4	3.3	2.9	3.7	3.7	3.7	7.0	5.8	6.3	7.9	7.5	6.9	7.5	6.7	6.9
Ala	16	16	14	17	17	16	16	13	13	6.4	6.2	5.5	5.1	4.6	4.8
Sarcosine	N.D.	N.D.	N.D.	0.023	0.017	0.020	0.044	0.046	0.050	0.024	0.030	0.024	N.D.	N.D.	N.D.
Cadaverine	N.D.	N.D.	N.D.	N.D.	0.0040	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
GABA	0.86	0.81	0.74	0.82	0.83	0.78	1.1	1.0	1.1	0.47	0.45	0.43	0.29	0.27	0.28
3-Aminoisobutyrate	0.018	0.013	0.011	0.010	0.0080	0.012	0.023	0.014	0.020	0.011	0.013	0.011	0.010	0.0084	0.010
2AB	0.095	0.081	0.076	0.071	0.069	0.064	0.058	0.041	0.045	0.014	0.016	0.014	0.012	0.011	0.011
N,N-Dimethylglycine	N.D.	N.D.	N.D.	0.014	0.012	0.013	0.018	0.014	0.015	0.016	0.016	0.015	0.011	0.0097	0.011
Choline	0.43	0.41	0.33	0.35	0.30	0.31	0.063	0.052	0.050	0.12	0.11	0.10	0.14	0.12	0.12
Ser	7.4	6.9	7.6	1.7	1.9	2.2	0.41	0.43	0.45	0.47	0.50	0.50	0.46	0.46	0.51
Diethanolamine	N.D.	0.075	N.D.	0.023	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.015
beta-Ala-Lys	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.00059	0.0013	0.00074	N.D.
Hypotaurine	17	17	18	7.0	7.3	7.8	8.3	8.4	8.6	7.6	7.4	7.9	7.1	7.0	7.2
Carnosine	0.038	0.040	0.040	0.027	0.025	0.030	0.024	0.026	0.025	0.026	0.024	0.022	0.028	0.025	0.023
Creatinine	0.100	0.099	0.10	0.077	0.089	0.10	0.14	0.14	0.15	0.12	0.11	0.13	0.11	0.10	0.11
Pro	16	15	16	3.6	3.8	4.0	3.2	3.4	3.5	2.9	2.9	3.2	2.3	2.4	2.6
5-Aminovalerate	0.057	0.051	0.049	0.027	0.031	0.030	0.052	0.045	0.044	0.027	0.023	0.026	0.014	0.019	0.017
Val	4.5	4.4	4.3	3.0	3.3	3.7	3.7	3.5	3.6	1.2	1.2	1.1	0.67	0.68	0.69
Betaine	0.22	0.21	0.20	0.19	0.20	0.20	0.23	0.23	0.23	0.26	0.25	0.24	0.24	0.22	0.23
Benzimidazole	N.D.	0.0051	0.0041	N.D.	N.D.	N.D.	0.0019	N.D.	0.0015	0.0021	N.D.	0.0010	N.D.	N.D.	0.0011
Homoserine	0.030	0.034	0.033	0.047	0.049	0.050	0.045	0.044	0.053	0.022	0.028	0.029	0.022	0.017	0.024
Thr	19	19	17	17	18	18	13	13	14	8.0	8.7	7.9	6.4	6.3	6.3
Anserine	N.D.	N.D.	0.0035	N.D.	N.D.	0.0022	0.0019	0.0014	0.0013	0.0023	0.0017	0.0016	0.0022	0.0021	0.0022
Nicotinamide	0.042	0.044	0.036	0.069	0.060	0.093	0.11	0.090	0.10	0.12	0.11	0.12	0.12	0.12	0.11
Taurine	4.0	3.9	3.7	1.6	1.7	1.8	2.2	2.2	2.1	2.7	2.5	2.5	2.8	2.7	2.7
Imidazole-4-acetate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.0083	0.010	0.0089	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Melamine	0.027	0.020	0.018	N.D.	0.011	N.D.	N.D.	0.0051	N.D.	0.0045	N.D.	N.D.	N.D.	N.D.	N.D.
Pipecolate	N.D.	N.D.	N.D.	0.0049	0.0053	0.0045	0.0075	0.0065	0.0069	0.0059	0.0047	0.0042	0.0046	0.0035	0.0042
N-Acetylputrescine	N.D.	N.D.	N.D.	0.0077	0.0067	0.0059	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Hydroxyproline	0.38	0.38	0.38	0.43	0.44	0.45	0.45	0.43	0.45	0.21	0.21	0.21	0.16	0.14	0.15
Creatine	8.8	8.7	8.7	5.2	5.4	5.6	12	11	11	13	12	13	9.5	9.7	10
Ile	3.8	3.7	3.9	2.5	3.0	3.7	2.5	2.5	2.5	0.54	0.54	0.53	0.27	0.30	0.30
Leu	4.4	4.3	4.5	3.0	3.4	4.2	2.8	2.9	2.7	0.69	0.70	0.70	0.34	0.37	0.39
Gly-Gly	0.051	0.048	0.036	0.035	0.033	0.031	0.035	0.028	0.028	0.018	0.016	0.015	0.013	0.011	0.011
Asn	2.6	2.5	2.2	1.5	1.5	1.4	2.5	2.2	2.3	2.3	2.3	2.1	1.9	1.5	1.6
Ornithine	0.18	0.17	0.16	0.15	0.18	0.24	0.054	0.045	0.047	0.0075	0.0080	0.0071	0.0044	0.0042	0.0037
Asp	5.9	5.6	6.0	11	12	12	2.5	2.3	2.3	1.4	1.4	1.4	1.2	1.2	1.2
Adenine	0.018	0.013	0.014	0.028	0.023	0.030	0.023	0.021	0.023	0.0082	0.011	0.011	0.010	0.0097	0.016
1-Methylnicotinamide	0.87	0.88	0.88	0.54	0.53	0.54	1.4	1.4	1.4	1.5	1.4	1.4	1.3	1.2	1.3
Trigonelline	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.0058	0.0054	0.0050	0.0062	0.0044	0.0067	0.0069	0.0063	0.0061
Tyramine	0.022	0.013	0.012	0.0078	0.0054	0.0040	0.0037	0.0034	0.0052	0.0040	0.0044	0.0039	0.0035	0.0031	0.0047
Urocanate	N.D.	N.D.	N.D.	N.D.	0.0077	0.017	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Proline betaine	N.D.	N.D.	N.D.	N.D.	N.D.	0.0034	N.D.	N.D.	0.0029	0.0033	0.0029	0.0030	0.0019	0.0019	N.D.
Acetylcholine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.0024	0.0031	0.0025	0.011	0.0098	0.0091	0.017	0.017	0.016
gamma-Butyrobetaine	0.044	0.045	0.049	0.026	0.032	0.031	0.058	0.054	0.062	0.076	0.076	0.079	0.073	0.070	0.073
Spermidine	N.D.	0.0036	N.D.	0.035	0.032	0.040	0.013	0.0064	0.0059	0.00096	0.0014	0.0014	0.0011	N.D.	0.0012
Gln	43	42	42	36	37	37	45	42	44	40	39	38	35	32	34
Lys	1.9	1.8	2.1	3.0	3.5	4.7	2.1	2.3	2.5	1.4	1.5	1.6	1.3	1.3	1.4
Glu	71	70	73	40	42	43	15	15	14	11	11	12	15	14	15
Met	1.5	1.5	1.2	1.3	1.3	1.4	1.5	1.3	1.3	1.0	0.95	0.86	0.72	0.59	0.63
His	1.1	1.1	1.1	0.94	1.1	1.2	1.5	1.5	1.6	0.98	0.98	1.0	0.75	0.74	0.77
alpha-Aminoadipate	0.29	0.29	0.28	0.29	0.24	0.29	0.34	0.34	0.31	0.085	0.084	0.086	0.078	0.10	0.11
Indole-3-ethanol	0.11	0.094	0.098	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Carnitine	0.43	0.46	0.39	0.15	0.16	0.15	0.31	0.26	0.27	0.35	0.34	0.30	0.38	0.30	0.32
5-Hydroxylysine	N.D.	N.D.	N.D.	0.0085	0.0067	0.0069	0.0034	0.0028	0.0024	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Methionine sulfoxide	0.040	0.047	0.048	0.024	0.025	0.035	0.042	0.049	0.056	0.024	0.025	0.034	0.016	0.025	0.023
Phe	2.6	2.4	2.5	2.1	2.4	2.8	3.6	3.5	3.6	2.3	2.2	2.2	1.6	1.6	1.7
Pyridoxal	N.D.	N.D.	N.D.	0.015	0.011	0.017	0.0081	0.0083	0.0085	0.011	0.0087	0.0097	0.0037	0.0051	0.0055
Pyridoxamine	N.D.	N.D.	N.D.	N.D.	N.D.	0.0024	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Pyridoxine	0.020	0.021	0.019	0.046	0.058	0.084	0.039	0.040	0.045	0.027	0.028	0.030	0.020	0.020	0.024
3-Methylhistidine	0.039	0.037	0.041	0.038	0.037	0.046	0.063	0.065	0.068	0.038	0.036	0.038	0.027	0.028	0.030
Arg	0.72	0.72	0.62	0.91	0.92	1.1	0.57	0.47	0.52	0.53	0.51	0.44	0.49	0.40	0.41
Citrulline	0.023	0.019	0.019	0.019	0.023	0.025	0.063	0.050	0.052	0.040	0.040	0.037	0.033	0.031	0.032
Glucosamine	N.D.	N.D.	N.D.	N.D.	N.D.	0.0072	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Tyr	3.4	3.2	3.2	2.9	3.2	3.7	4.4	4.2	4.4	2.5	2.5	2.5	1.8	1.8	1.8
Phosphorylcholine	6.4	6.3	5.2	4.5	4.7	4.2	1.1	0.90	0.89	1.5	1.5	1.3	1.6	1.3	1.3
N8-Acetylspermidine	N.D.	N.D.	N.D.	N.D.	N.D.	0.0016	0.0023	0.0039	0.0020	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N1-Acetylspermidine	N.D.	N.D.	N.D.	0.017	0.021	0.025	0.051	0.048	0.044	0.0048	0.0044	0.0048	0.0029	0.0030	0.0033
N-epsilon-Acetyllysine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.0067	0.0065	0.0051	0.0046	0.0036	N.D.	0.0032	0.0025	0.0028
N6,N6,N6-Trimethyllysine	0.0092	0.0090	0.0067	0.0086	0.0085	0.0093	0.0083	0.0084	0.0082	0.0062	0.0047	0.0055	0.0044	0.0047	0.0050
5-Hydroxyindoleacetate	0.12	0.14	0.11	0.011	0.0096	0.0051	0.038	0.038	0.047	0.019	0.033	0.037	0.019	0.020	0.017
SAH	N.D.	N.D.	N.D.	0.0095	0.0067	0.0061	0.0077	0.0067	0.0064	0.0049	0.0051	0.0046	0.0056	0.0050	0.0043
N-Acetylhistidine	N.D.	N.D.	N.D.	N.D.	N.D.	0.0028	0.0056	0.0047	0.0058	0.0040	0.0048	0.0031	0.0025	N.D.	0.0031
SAM+	0.23	0.22	0.24	0.28	0.28	0.32	0.43	0.39	0.40	0.20	0.20	0.19	0.14	0.14	0.16
ADMA	N.D.	N.D.	N.D.	0.0071	0.0060	0.0085	0.0079	0.0090	0.0094	0.0045	0.0055	0.0056	0.0045	0.0043	0.0041
SDMA	N.D.	N.D.	N.D.	N.D.	N.D.	0.0034	N.D.	0.0022	0.0022	0.0034	0.0024	0.0019	0.0021	0.0014	N.D.
o-Acetylcarnitine	0.13	0.14	0.12	0.041	0.038	0.042	0.14	0.13	0.14	0.15	0.15	0.13	0.12	0.11	0.12
Trp	0.72	0.67	0.73	0.63	0.73	0.85	0.84	0.83	0.84	0.58	0.56	0.58	0.43	0.43	0.46
Kynurenine	N.D.	N.D.	N.D.	N.D.	0.010	0.0071	0.011	0.0098	0.0090	0.0071	0.0072	0.0061	N.D.	0.0057	0.0059
Cysteine-glutathione disulphide	0.036	0.023	0.048	N.D.	N.D.	0.0071	N.D.	N.D.	N.D.	N.D.	N.D.	0.014	N.D.	0.0031	N.D.
N-Acetylglucosylamine	N.D.	N.D.	N.D.	N.D.	N.D.	0.018	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylglucosamine	0.26	0.26	0.26	0.16	0.16	0.15	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
2'-Deoxycytidine	N.D.	0.0097	0.0091	0.014	0.015	0.017	N.D.	N.D.	0.0055	0.0055	0.0046	0.0040	0.0047	N.D.	0.0035
gamma-Glu-2AB	N.D.	N.D.	N.D.	0.0076	0.0093	0.0095	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Thymidine	39	36	32	29	27	20	15	12	11	8.8	8.2	7.7	7.2	6.5	6.7
Cytidine	0.064	0.065	0.058	0.20	0.18	0.19	0.15	0.13	0.13	0.051	0.051	0.052	0.037	0.032	0.037
Pyridoxamine 5'-phosphate	0.016	0.018	0.016	0.012	0.012	0.0083	0.027	0.021	0.018	0.016	0.013	0.012	0.016	0.014	0.013
Glycerophosphorylcholine	1.2	1.1	1.1	0.52	0.56	0.59	0.56	0.57	0.58	0.45	0.48	0.44	0.45	0.44	0.47
Thiamine	0.0079	0.012	0.015	0.069	0.100	0.14	0.0092	0.0093	0.010	0.0047	0.0053	0.0060	0.0047	0.0043	0.0049
Adenosine	N.D.	N.D.	N.D.	0.032	0.012	0.027	0.0033	0.0031	0.0030	0.0023	0.0032	0.0026	0.0019	0.0023	0.0019
Inosine	N.D.	N.D.	N.D.	N.D.	0.035	0.041	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Glu-Glu	0.017	0.021	0.018	0.0075	0.0074	0.0072	N.D.	N.D.	0.0039	N.D.	0.0042	0.0026	N.D.	N.D.	N.D.
1-Methyladenosine	N.D.	N.D.	N.D.	N.D.	N.D.	0.0018	0.0026	0.0029	0.0028	0.0026	0.0031	0.0032	0.0026	0.0023	0.0027
Guanosine	N.D.	N.D.	N.D.	0.0076	0.0067	0.0086	0.0050	0.0044	0.0063	N.D.	0.0034	N.D.	N.D.	N.D.	N.D.
Ophthalmate	0.029	0.028	0.029	0.13	0.14	0.14	0.0080	0.0084	0.0085	0.0040	0.0050	0.013	0.0072	0.0071	0.0059
Argininosuccinate	0.021	0.020	0.022	0.10	0.12	0.10	0.081	0.079	0.082	0.11	0.12	0.10	0.12	0.10	0.11
5-Methylthioadenosine	0.068	0.067	0.057	0.064	0.051	0.043	0.10	0.069	0.084	0.049	0.052	0.051	0.050	0.042	0.041
Glutathione(ox)	2.1	1.1	2.9	0.91	1.1	1.8	0.43	0.54	0.65	0.29	0.41	2.5	0.29	0.70	0.64
Glutathione(red)	6.9	10	4.8	7.1	6.8	5.4	8.1	6.6	6.8	6.3	5.7	0.38	5.7	4.2	4.6
Thiamine monophosphate	N.D.	N.D.	N.D.	N.D.	N.D.	0.015	N.D.	0.013	0.011	0.015	0.015	0.014	0.014	0.013	0.015
S-Lactoylglutathione	0.023	0.033	0.035	0.019	0.045	0.022	0.014	0.014	0.033	0.014	0.012	0.018	0.013	0.0090	0.012
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	PubChem
Urea	C00086	1176
Gly	C00037	5257127
Trimethylamine N-oxide	C01104	1145
Putrescine(1,4-Butanediamine)	C00134	1045
beta-Ala	C00099	239
Ala	C00041	5950
Sarcosine	C00213	1088
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
beta-Ala-Lys	C05341	440638
Hypotaurine	C00519	107812
Carnosine	C00386	439224
Creatinine	C00791	588
Pro	C00148	145742
5-Aminovalerate	C00431	138
Val	C00183	6287
Betaine	C00719	247
Benzimidazole	C02009	5798
Homoserine	C00263	12647
Thr	C00188	6288
Anserine	C01262	112072
Nicotinamide	C00153	936
Taurine	C00245	1123
Imidazole-4-acetate	C02835	28305488
Melamine	C08737	7955
Pipecolate	C00408	439227
N-Acetylputrescine	C02714	122356
Hydroxyproline	C01015	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
1-Methylnicotinamide	C02918	457
Trigonelline	C01004	5570
Tyramine	C00483	5610
Urocanate	C00785	1178
Proline betaine	C10172	115244
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
Indole-3-ethanol	C00955	10685
Carnitine	C00318	10917
5-Hydroxylysine	C16741	3032849
Methionine sulfoxide	C02989	1548907
Phe	C00079	6140
Pyridoxal	C00250	1050
Pyridoxamine	C00534	1052
Pyridoxine	C00314	1054
3-Methylhistidine	C01152	64969
Arg	C00062	28782
Citrulline	C00327	6992098
Glucosamine	C00329	439213
Tyr	C00082	6057
Phosphorylcholine	C00588	1014
N8-Acetylspermidine	C01029	123689
N1-Acetylspermidine	C00612	496
N-epsilon-Acetyllysine	C02727	6991978
N6,N6,N6-Trimethyllysine	C03793	440120
5-Hydroxyindoleacetate	C05635	1826
SAH	C00021	25246222
N-Acetylhistidine	C02997	51669405
SAM+	C00019	24762165
ADMA	C03626	123831
SDMA	-	169148
o-Acetylcarnitine	C02571	439756
Trp	C00078	6305
Kynurenine	C00328	161166
Cysteine-glutathione disulphide	-	10455148
N-Acetylglucosylamine	C01239	439454
N-Acetylglucosamine	C00140	439174
2'-Deoxycytidine	C00881	13711
gamma-Glu-2AB	-	7014903
Thymidine	C00214	5789
Cytidine	C00475	6175
Pyridoxamine 5'-phosphate	C00647	1053
Glycerophosphorylcholine	C00670	657272
Thiamine	C00378	1130
Adenosine	C00212	60961
Inosine	C00294	6021
Glu-Glu	C01425	439500
1-Methyladenosine	C02494	27476
Guanosine	C00387	6802
Ophthalmate	-	7018721
Argininosuccinate	C03406	16950
5-Methylthioadenosine	C00170	439176
Glutathione(ox)	C00127	11215652
Glutathione(red)	C00051	124886
Thiamine monophosphate	C01081	1131
S-Lactoylglutathione	C03451	440018
METABOLITES_END
#END