#METABOLOMICS WORKBENCH Kaori_20250611_181205 DATATRACK_ID:6028 STUDY_ID:ST003979 ANALYSIS_ID:AN006555 PROJECT_ID:PR002491
VERSION             	1
CREATED_ON             	June 13, 2025, 1:18 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 4)
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 2K
#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	si-Ctr_D0_A	Sample source:3T3-L1 | Treatment:si-Ctr	RAW_FILE_NAME(Anion)=1A_d1.mzML; RAW_FILE_NAME(Cation)=1A_d2.mzML
SUBJECT_SAMPLE_FACTORS           	1B	si-Ctr_D0_B	Sample source:3T3-L1 | Treatment:si-Ctr	RAW_FILE_NAME(Anion)=1B_d1.mzML; RAW_FILE_NAME(Cation)=1B_d2.mzML
SUBJECT_SAMPLE_FACTORS           	1C	si-Ctr_D0_C	Sample source:3T3-L1 | Treatment:si-Ctr	RAW_FILE_NAME(Anion)=1C_d1.mzML; RAW_FILE_NAME(Cation)=1C_d2.mzML
SUBJECT_SAMPLE_FACTORS           	2A	si-Idh3b_D0_A	Sample source:3T3-L1 | Treatment:si-Idh3b	RAW_FILE_NAME(Anion)=2A_d1.mzML; RAW_FILE_NAME(Cation)=2A_d2.mzML
SUBJECT_SAMPLE_FACTORS           	2B	si-Idh3b_D0_B	Sample source:3T3-L1 | Treatment:si-Idh3b	RAW_FILE_NAME(Anion)=2B_d1.mzML; RAW_FILE_NAME(Cation)=2B_d2.mzML
SUBJECT_SAMPLE_FACTORS           	2C	si-Idh3b_D0_C	Sample source:3T3-L1 | Treatment:si-Idh3b	RAW_FILE_NAME(Anion)=2C_d1.mzML; RAW_FILE_NAME(Cation)=2C_d2.mzML
SUBJECT_SAMPLE_FACTORS           	3A	si-Idh3b_dm-a-KG_D0_A	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	RAW_FILE_NAME(Anion)=3A_d1.mzML; RAW_FILE_NAME(Cation)=3A_d2.mzML
SUBJECT_SAMPLE_FACTORS           	3B	si-Idh3b_dm-a-KG_D0_B	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	RAW_FILE_NAME(Anion)=3B_d1.mzML; RAW_FILE_NAME(Cation)=3B_d2.mzML
SUBJECT_SAMPLE_FACTORS           	3C	si-Idh3b_dm-a-KG_D0_C	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	RAW_FILE_NAME(Anion)=3C_d1.mzML; RAW_FILE_NAME(Cation)=3C_d2.mzML
SUBJECT_SAMPLE_FACTORS           	7A	si-Ctr_D7_A	Sample source:3T3-L1 | Treatment:si-Ctr	RAW_FILE_NAME(Anion)=7A_d1.mzML; RAW_FILE_NAME(Cation)=7A_d2.mzML
SUBJECT_SAMPLE_FACTORS           	7B	si-Ctr_D7_B	Sample source:3T3-L1 | Treatment:si-Ctr	RAW_FILE_NAME(Anion)=7B_d1.mzML; RAW_FILE_NAME(Cation)=7B_d2.mzML
SUBJECT_SAMPLE_FACTORS           	7C	si-Ctr_D7_C	Sample source:3T3-L1 | Treatment:si-Ctr	RAW_FILE_NAME(Anion)=7C_d1.mzML; RAW_FILE_NAME(Cation)=7C_d2.mzML
SUBJECT_SAMPLE_FACTORS           	8A	si-Idh3b_D7_A	Sample source:3T3-L1 | Treatment:si-Idh3b	RAW_FILE_NAME(Anion)=8A_d1.mzML; RAW_FILE_NAME(Cation)=8A_d2.mzML
SUBJECT_SAMPLE_FACTORS           	8B	si-Idh3b_D7_B	Sample source:3T3-L1 | Treatment:si-Idh3b	RAW_FILE_NAME(Anion)=8B_d1.mzML; RAW_FILE_NAME(Cation)=8B_d2.mzML
SUBJECT_SAMPLE_FACTORS           	8C	si-Idh3b_D7_C	Sample source:3T3-L1 | Treatment:si-Idh3b	RAW_FILE_NAME(Anion)=8C_d1.mzML; RAW_FILE_NAME(Cation)=8C_d2.mzML
SUBJECT_SAMPLE_FACTORS           	9A	si-Idh3b_dm-a-KG_D7_A	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	RAW_FILE_NAME(Anion)=9A_d1.mzML; RAW_FILE_NAME(Cation)=9A_d2.mzML
SUBJECT_SAMPLE_FACTORS           	9B	si-Idh3b_dm-a-KG_D7_B	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	RAW_FILE_NAME(Anion)=9B_d1.mzML; RAW_FILE_NAME(Cation)=9B_d2.mzML
SUBJECT_SAMPLE_FACTORS           	9C	si-Idh3b_dm-a-KG_D7_C	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	RAW_FILE_NAME(Anion)=9C_d1.mzML; RAW_FILE_NAME(Cation)=9C_d2.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, treated with 8 mM
TR:TREATMENT_SUMMARY             	dimethyl-α-KG, and differentiated 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 7100 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 6230 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_A	si-Ctr_D0_B	si-Ctr_D0_C	si-Idh3b_D0_A	si-Idh3b_D0_B	si-Idh3b_D0_C	si-Idh3b_dm-a-KG_D0_A	si-Idh3b_dm-a-KG_D0_B	si-Idh3b_dm-a-KG_D0_C	si-Ctr_D7_A	si-Ctr_D7_B	si-Ctr_D7_C	si-Idh3b_D7_A	si-Idh3b_D7_B	si-Idh3b_D7_C	si-Idh3b_dm-a-KG_D7_A	si-Idh3b_dm-a-KG_D7_B	si-Idh3b_dm-a-KG_D7_C
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-Idh3b	Sample source:3T3-L1 | Treatment:si-Idh3b	Sample source:3T3-L1 | Treatment:si-Idh3b	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	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, dm-α-KG	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG	Sample source:3T3-L1 | Treatment:si-Idh3b, dm-α-KG
Urea	2.4	1.7	1.9	2.5	2.3	13	3.0	2.0	2.1	1.3	1.3	1.9	1.4	1.2	1.5	1.6	1.4	1.8
Gly	27	25	26	34	33	31	35	28	28	21	21	20	11	10	10	17	18	14
Trimethylamine N-oxide	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.0073	N.D.	N.D.	N.D.	0.016	N.D.	N.D.	N.D.	N.D.
Putrescine(1,4-Butanediamine)	0.049	0.039	0.027	0.048	0.027	0.030	0.033	0.027	0.019	0.028	0.022	0.037	0.0060	0.0066	0.0098	0.0066	0.0074	0.0039
beta-Ala	2.9	2.8	2.9	3.9	3.5	3.5	4.2	3.7	3.6	5.3	4.9	4.7	2.2	1.9	1.7	2.9	3.1	2.3
Ala	14	13	13	18	18	17	19	16	16	15	14	13	5.1	4.7	4.3	6.7	7.3	6.1
Sarcosine	0.045	0.047	0.069	0.051	0.044	0.046	0.052	0.044	0.067	0.032	0.023	0.023	0.036	0.041	0.034	0.035	0.039	0.024
GABA	0.72	0.62	0.68	0.82	0.78	0.68	0.78	0.63	0.60	0.31	0.27	0.30	0.25	0.24	0.24	0.29	0.33	0.30
2AB	0.13	0.11	0.11	0.11	0.15	0.12	0.15	0.098	0.13	0.070	0.073	0.084	0.083	0.092	0.080	0.095	0.10	0.078
N,N-Dimethylglycine	0.034	0.038	0.055	N.D.	0.038	0.064	0.051	N.D.	0.061	0.025	0.016	0.027	0.020	0.044	0.035	0.023	0.042	0.032
Choline	0.37	0.31	0.28	0.41	0.39	0.33	0.49	0.41	0.41	0.17	0.17	0.28	0.13	0.11	0.11	0.19	0.22	0.21
Ser	3.5	3.7	3.4	4.9	4.4	4.4	5.0	4.4	4.5	3.2	3.0	3.7	5.8	5.3	4.9	6.9	7.4	6.3
Diethanolamine	0.89	0.32	0.66	0.59	0.52	0.31	1.1	1.1	0.29	0.20	0.082	0.11	0.15	0.34	0.27	0.35	0.27	1.0
Hypotaurine	7.3	6.7	6.6	9.3	8.8	8.1	8.3	7.3	7.2	3.5	3.1	2.8	2.4	2.3	2.0	3.8	4.2	3.1
Histamine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.030	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Carnosine	0.045	0.022	0.025	0.044	0.042	0.030	0.042	0.039	0.029	0.011	0.013	0.013	0.014	0.012	0.010	0.0085	0.011	0.010
Creatinine	0.059	0.058	0.048	0.079	0.072	0.059	0.072	0.057	0.060	0.087	0.084	0.084	0.069	0.060	0.053	0.060	0.065	0.064
Pro	11	10	11	13	12	11	8.1	6.7	6.7	1.8	1.6	1.8	1.4	1.4	1.3	2.0	2.1	2.1
Guanidinoacetate	0.091	0.093	0.11	0.097	0.077	0.10	0.15	0.061	0.11	0.055	0.032	0.043	0.058	0.097	0.058	0.058	0.084	0.038
5-Aminovalerate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.051	N.D.	N.D.	0.11	N.D.	N.D.	N.D.	N.D.
Val	3.4	3.3	3.2	4.0	3.7	3.5	3.0	2.6	2.6	1.9	1.8	1.8	1.2	1.1	1.0	1.1	1.3	1.3
Betaine	0.52	0.51	0.48	0.49	0.60	0.65	0.64	0.36	0.57	0.36	0.34	0.48	0.41	0.47	0.44	0.36	0.47	0.29
Thr	11	10	11	13	13	12	10	10	9.9	14	13	13	12	11	10	14	16	13
Nicotinamide	N.D.	0.033	N.D.	N.D.	0.086	N.D.	0.055	N.D.	0.043	0.038	0.048	0.042	0.024	0.031	0.043	0.053	0.053	0.034
Taurine	1.9	2.0	2.0	2.3	2.4	2.3	2.4	1.9	2.0	2.1	2.1	2.0	2.8	2.4	2.0	2.6	2.6	2.0
Hydroxyproline	0.29	0.28	0.29	0.40	0.38	0.37	0.37	0.31	0.32	0.53	0.50	0.48	0.33	0.28	0.28	0.43	0.45	0.36
5-Aminolevulinate	N.D.	N.D.	0.014	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.010	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.015
Creatine	6.1	5.8	5.7	6.8	6.7	6.4	6.1	5.1	5.3	6.4	6.0	6.0	5.5	4.7	4.6	4.2	4.6	3.7
6-Aminohexanoate	0.012	N.D.	N.D.	0.014	0.0091	N.D.	0.012	N.D.	N.D.	N.D.	0.0056	0.0053	0.0060	0.0046	N.D.	0.0053	N.D.	N.D.
beta-Leucine	0.0076	N.D.	N.D.	N.D.	N.D.	N.D.	0.013	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Ile	2.4	2.3	2.3	2.8	2.6	2.6	2.0	1.7	1.7	0.93	0.89	0.89	0.70	0.72	0.83	0.57	0.63	0.79
Leu	2.9	2.7	2.6	3.2	3.1	2.9	2.3	2.1	2.1	0.97	0.98	1.1	0.71	0.67	0.72	0.60	0.72	0.91
Asn	2.1	2.1	2.1	2.6	2.6	2.5	2.7	2.3	2.3	2.7	2.6	2.6	2.6	2.3	2.1	3.9	4.2	3.1
Ornithine	0.12	0.12	0.12	0.18	0.13	0.14	0.099	0.095	0.088	0.019	0.028	0.44	0.035	0.037	0.029	0.024	0.022	0.22
Asp	3.6	3.6	3.7	4.7	4.6	4.5	6.9	5.8	6.3	4.1	3.8	3.9	7.2	6.9	6.7	6.0	6.6	6.4
Adenine	N.D.	N.D.	0.011	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.011	0.0076	0.022	0.011	0.012	N.D.	0.013	0.012	N.D.
1-Methylnicotinamide	0.89	0.82	0.82	1.1	1.1	0.99	1.1	1.0	0.95	1.6	1.5	1.4	1.4	1.3	1.2	1.7	1.8	1.3
Urocanate	N.D.	N.D.	0.053	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.018	N.D.	0.15	N.D.	N.D.	N.D.	N.D.	N.D.	0.073
Tropine	N.D.	N.D.	N.D.	0.0088	N.D.	N.D.	0.013	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Acetylcholine	0.018	0.0049	0.0051	0.014	N.D.	N.D.	0.015	N.D.	N.D.	0.012	0.011	0.0090	0.0058	0.0050	0.0040	0.0054	0.0072	0.0056
gamma-Butyrobetaine	0.054	0.033	0.032	0.056	0.046	0.039	0.043	0.028	0.035	0.051	0.046	0.048	0.037	0.028	0.028	0.030	0.034	0.030
Spermidine	0.0076	0.0069	N.D.	0.014	N.D.	N.D.	N.D.	N.D.	N.D.	0.024	0.017	0.0067	N.D.	N.D.	N.D.	0.014	0.0077	N.D.
Gln	26	25	25	31	30	28	31	27	28	52	48	47	53	46	42	67	71	56
Lys	0.89	0.79	0.80	1.3	1.1	1.1	1.1	1.1	1.0	1.1	0.98	1.1	0.84	0.76	0.75	1.1	1.2	1.2
Glu	38	37	37	47	45	42	37	31	32	15	15	14	20	19	18	22	25	24
Met	1.0	0.90	0.92	1.2	1.0	1.0	1.00	0.87	0.81	1.2	1.0	1.0	0.61	0.53	0.44	0.79	0.81	0.66
His	0.91	0.83	0.80	1.1	0.98	0.93	0.83	0.78	0.76	1.0	0.94	1.2	0.49	0.42	0.41	0.60	0.65	0.61
Carnitine	0.23	0.25	0.22	0.26	0.27	0.25	0.32	0.25	0.27	0.34	0.31	0.30	0.26	0.25	0.21	0.26	0.28	0.21
Methionine sulfoxide	0.067	0.058	0.058	0.071	0.080	0.064	0.070	0.065	0.063	0.072	0.061	0.060	0.044	0.038	0.045	0.049	0.057	0.047
Phe	2.2	2.1	2.1	2.5	2.4	2.3	2.1	1.8	1.8	2.6	2.5	2.3	1.1	0.97	0.87	1.5	1.5	1.3
Pyridoxine	0.0083	N.D.	0.0091	N.D.	N.D.	N.D.	0.012	N.D.	0.012	0.030	0.029	0.032	0.011	0.012	0.011	0.015	0.016	0.018
3-Methylhistidine	0.033	0.025	0.025	0.041	0.023	0.030	0.028	0.024	0.032	0.037	0.038	0.030	0.022	0.016	0.016	0.029	0.026	0.025
Arg	0.55	0.46	0.45	0.79	0.64	0.66	0.67	0.60	0.58	0.51	0.50	0.28	0.42	0.40	0.41	0.50	0.58	0.56
Citrulline	0.042	0.049	0.025	0.038	0.032	0.029	0.036	0.027	0.029	0.062	0.070	0.38	0.039	0.039	0.034	0.063	0.063	0.060
Tyr	2.3	2.2	2.1	2.6	2.5	2.4	2.3	2.0	1.9	2.8	2.7	2.5	1.3	1.1	1.0	1.7	1.8	1.5
Phosphorylcholine	7.2	6.7	6.7	12	11	10	9.5	8.2	8.1	4.4	4.1	3.9	6.6	5.7	5.7	4.0	4.3	3.4
N1-Acetylspermidine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.011	0.0087	0.0043	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Gly-Leu	0.013	N.D.	N.D.	0.0092	N.D.	N.D.	0.014	N.D.	N.D.	N.D.	N.D.	N.D.	0.0041	N.D.	N.D.	N.D.	N.D.	N.D.
N-epsilon-Acetyllysine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.063	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
N6,N6,N6-Trimethyllysine	0.0097	N.D.	0.0062	0.017	0.012	N.D.	N.D.	0.0084	0.0078	0.010	0.011	N.D.	N.D.	N.D.	N.D.	0.0079	0.0085	0.0071
SAM+	0.17	0.12	0.14	0.21	0.19	0.17	0.17	0.20	0.14	0.16	0.15	0.14	0.15	0.12	0.12	0.15	0.17	0.14
o-Acetylcarnitine	0.070	0.067	0.063	0.086	0.080	0.079	0.073	0.044	0.045	0.075	0.064	0.062	0.043	0.045	0.035	0.041	0.049	0.033
Trp	0.59	0.53	0.53	0.70	0.59	0.57	0.56	0.53	0.47	0.63	0.58	0.61	0.30	0.25	0.22	0.38	0.42	0.34
Cysteine-glutathione disulphide	0.12	0.074	0.12	0.16	0.087	0.22	0.057	0.12	0.13	N.D.	N.D.	N.D.	0.036	0.034	0.047	N.D.	0.021	0.090
N1,N8-Diacetylspermidine	0.013	N.D.	N.D.	0.0083	N.D.	N.D.	0.015	N.D.	N.D.	0.0029	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Thymidine	4.1	2.7	2.6	5.2	3.8	3.6	5.1	3.8	3.8	1.5	1.3	1.3	1.9	1.9	2.1	1.8	1.7	1.7
Glycerophosphorylcholine	0.54	0.59	0.55	0.71	0.73	0.64	0.66	0.65	0.64	1.3	1.3	1.2	1.1	1.1	0.96	1.1	1.2	0.88
Thiamine	N.D.	N.D.	N.D.	0.015	N.D.	N.D.	N.D.	0.016	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.0048	N.D.
Adenosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.0049	N.D.	0.0064	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Guanosine	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.030	0.036	0.032	0.0069	0.0072	N.D.	0.012	0.018	0.0079
Ophthalmate	0.029	N.D.	N.D.	0.066	N.D.	0.067	0.062	0.048	0.061	0.029	0.021	0.025	0.071	0.045	0.082	0.11	0.11	0.11
Argininosuccinate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.24	0.21	0.23	0.13	0.077	0.070	0.32	0.30	0.27
5-Methylthioadenosine	N.D.	0.014	0.0077	0.010	0.026	0.011	0.020	N.D.	0.020	0.019	0.024	0.016	0.023	0.023	0.021	0.025	0.024	N.D.
Glutathione(ox)	0.91	0.64	0.97	0.84	1.4	2.4	0.66	0.67	1.7	0.44	0.40	0.40	2.0	0.49	1.6	0.34	1.1	1.3
Glutathione(red)	5.6	5.6	4.7	6.3	4.2	0.61	5.1	4.8	0.64	6.4	5.9	5.6	0.46	4.0	0.45	5.7	4.1	2.5
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
GABA	C00334	119
2AB	C02356	6971252
N,N-Dimethylglycine	C01026	673
Choline	C00114	305
Ser	C00065	5951
Diethanolamine	C06772	8113
Hypotaurine	C00519	107812
Histamine	C00388	774
Carnosine	C00386	439224
Creatinine	C00791	588
Pro	C00148	145742
Guanidinoacetate	C00581	3946848
5-Aminovalerate	C00431	138
Val	C00183	6287
Betaine	C00719	247
Thr	C00188	6288
Nicotinamide	C00153	936
Taurine	C00245	1123
Hydroxyproline	C01157	5810
5-Aminolevulinate	C00430	137
Creatine	C00300	586
6-Aminohexanoate	C02378	517030
beta-Leucine	C02486	439734
Ile	C00407	6306
Leu	C00123	6106
Asn	C00152	6267
Ornithine	C00077	6262
Asp	C00049	44367445
Adenine	C00147	190
1-Methylnicotinamide	C02918	457
Urocanate	C00785	1178
Tropine	C00729	No result
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
Carnitine	C00318	10917
Methionine sulfoxide	C02989	1548907
Phe	C00079	6140
Pyridoxine	C00314	1054
3-Methylhistidine	C01152	64969
Arg	C00062	28782
Citrulline	C00327	6992098
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
SAM+	C00019	24762165
o-Acetylcarnitine	C02571	439756
Trp	C00078	6305
Cysteine-glutathione disulphide	-	10455148
N1,N8-Diacetylspermidine	-	389613
Thymidine	C00214	5789
Glycerophosphorylcholine	C00670	657272
Thiamine	C00378	1130
Adenosine	C00212	60961
Guanosine	C00387	6802
Ophthalmate	C21016	7018721
Argininosuccinate	C03406	16950
5-Methylthioadenosine	C00170	439176
Glutathione(ox)	C00127	11215652
Glutathione(red)	C00051	124886
METABOLITES_END
#END