#METABOLOMICS WORKBENCH Kaori_20250611_175209 DATATRACK_ID:6027 STUDY_ID:ST003978 ANALYSIS_ID:AN006552 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                   	COSMO(+) capillary i. d. 50 µm x 105 cm
CH:SOLVENT_A                     	50 mM ammonium acetate, pH 8.5
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 G1969 TOF
MS:INSTRUMENT_TYPE               	TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	ESI-TOFMS was performed in the negative ion mode. The capillary voltage was set
MS:MS_COMMENTS                   	at 3.5 kV, and a nitrogen gas flow rate (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
G1P	0.11	0.072	0.063	0.082	0.071	0.10	0.079	0.061	0.051	0.064
G6P	0.31	0.14	0.30	0.83	0.82	0.18	0.078	0.11	0.25	0.38
F6P	0.079	0.056	0.092	0.21	0.21	0.062	0.048	0.035	0.070	0.12
F1,6P	0.45	0.51	0.56	0.065	0.081	0.56	0.28	0.25	0.19	0.24
DHAP	0.54	0.28	0.51	0.55	0.49	0.28	0.17	0.17	0.19	0.46
Glycerophosphate	0.78	0.58	4.4	5.3	5.7	0.77	0.38	0.58	1.4	1.3
G3P	N.D.	0.092	0.051	0.035	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
2,3-DPG	0.025	0.024	0.057	0.011	0.0052	0.022	0.026	0.065	0.045	0.042
3PG	0.20	0.19	0.56	0.48	0.48	0.21	0.14	0.13	0.36	0.55
2PG	0.026	0.023	0.076	0.055	0.052	0.025	0.029	0.021	0.034	0.046
PEP	0.073	0.058	0.22	0.21	0.24	0.059	0.025	0.030	0.11	0.18
Pyruvate	1.5	0.95	3.4	7.4	6.5	0.99	1.1	0.73	0.71	0.97
Lactate	23	131	115	126	129	17	37	14	8.3	6.9
Acetyl CoA	0.016	0.016	0.084	0.14	0.18	0.013	0.0097	0.027	0.050	0.056
Citrate	1.0	2.2	3.9	3.6	3.6	1.2	1.8	2.2	3.3	2.5
cis-Aconitate	0.058	0.10	0.17	0.22	0.21	0.071	0.086	0.099	0.18	0.13
Isocitrate	0.031	0.042	0.087	0.12	0.12	0.029	0.029	0.045	0.077	0.073
2-Oxoglutarate	1.2	0.92	2.6	3.5	3.3	0.91	0.76	0.90	1.7	1.9
2-Hydroxyglutarate	0.061	0.052	0.14	0.22	0.28	0.078	0.056	0.078	0.16	0.18
Succinate	0.27	0.37	0.32	0.23	0.19	0.28	0.27	0.27	0.56	0.66
Fumarate	0.90	0.98	2.4	2.2	2.5	0.83	1.3	1.5	2.2	1.5
Malate	3.0	3.1	7.3	7.2	7.8	2.7	4.2	3.9	6.6	4.5
6-Phosphogluconate	0.030	0.041	0.22	0.17	0.22	0.030	0.041	0.055	0.064	0.070
Ru5P	0.094	0.040	N.D.	N.D.	N.D.	N.D.	N.D.	0.052	0.072	0.074
R5P	0.020	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.023	N.D.	0.028
S7P	0.099	0.052	0.10	0.31	0.30	0.057	0.061	0.041	0.080	0.12
3-Hydroxypropionate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.55	N.D.	N.D.	N.D.
3-Methylbutanoate	N.D.	0.051	0.051	0.026	0.027	N.D.	N.D.	N.D.	N.D.	0.025
Malonate	0.051	0.066	0.064	0.067	0.079	0.052	0.039	0.076	0.062	0.060
3-Hydroxybutyrate	0.046	0.11	0.39	0.61	0.66	0.070	0.075	0.071	0.29	0.14
2-Furoate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.023
4-Oxopentanoate	0.094	0.093	0.044	0.031	0.033	0.12	0.098	0.072	0.086	0.051
2-Oxoisopentanoate	0.10	0.18	0.73	1.2	0.98	0.084	0.12	0.11	0.075	0.053
Hexanoate	0.039	0.022	0.013	0.011	0.0094	0.029	0.028	0.027	0.015	0.013
Benzoate	N.D.	N.D.	N.D.	N.D.	N.D.	0.42	N.D.	N.D.	0.45	0.21
Isethionate	0.19	0.098	0.035	0.070	0.13	0.20	0.10	0.089	0.093	0.12
5-Oxoproline	2.5	8.7	7.4	5.4	5.2	1.9	4.1	1.9	1.3	1.4
Citraconate	0.012	0.0063	0.0040	0.0028	0.0036	0.012	0.012	0.0055	0.0085	0.0094
4-Methyl-2-oxopentanoate	0.23	0.49	1.9	2.1	1.5	0.16	0.34	0.29	0.14	0.094
4-Acetylbutyrate	0.074	0.041	0.028	0.019	0.024	0.093	0.070	0.071	0.069	0.055
Heptanoate	0.025	0.019	0.0082	0.0057	0.0066	0.040	0.018	0.017	0.033	0.019
N-Acetyl-beta-alanine	0.024	0.026	0.068	0.10	0.072	0.028	0.044	0.029	0.011	0.013
Glutarate	0.021	0.032	0.027	0.026	0.020	0.047	0.025	0.035	0.038	0.028
2-Hydroxy-4-methylpentanoate	N.D.	0.026	0.047	0.13	0.14	N.D.	N.D.	N.D.	N.D.	N.D.
Threonate	0.47	0.79	0.91	1.3	1.4	0.28	0.43	0.26	0.32	0.40
Phosphonoacetate	0.052	N.D.	0.025	0.020	0.016	N.D.	N.D.	N.D.	0.024	N.D.
Ethanolamine phosphate	16	6.3	4.6	4.5	3.4	17	9.3	12	16	12
Octanoate	0.031	0.026	0.013	0.011	0.0083	0.049	0.030	0.030	0.041	0.024
Citramalate	0.0082	0.021	0.020	0.048	0.11	0.0082	0.015	0.013	0.017	0.029
Dihydroorotate	N.D.	0.082	0.072	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Pelargonate	0.11	0.048	0.027	0.029	0.036	0.095	0.067	0.077	0.044	0.064
3-Hydroxy-3-methylglutarate	0.020	0.019	0.038	0.057	0.080	0.025	0.023	0.017	0.051	0.075
Terephthalate	0.025	0.021	0.0064	0.0055	0.0065	0.027	0.018	0.017	0.018	0.016
Phthalate	0.0089	0.0059	0.0022	0.0021	0.0024	0.011	0.0049	0.0035	0.0083	0.0048
Urate	0.036	0.064	0.046	0.078	0.10	0.030	0.047	0.035	0.035	0.038
Decanoate	0.030	0.012	0.0090	0.0073	0.0078	0.027	0.015	0.019	0.0083	0.014
N-Acetylleucine	0.0075	0.017	0.011	0.0057	0.0035	0.0056	0.0068	0.0071	0.0039	0.0036
N-Acetylaspartate	0.064	0.016	0.014	0.022	0.012	0.054	0.015	0.018	0.025	0.016
Carbamoylaspartate	0.048	0.12	0.23	0.10	0.060	0.041	0.085	0.077	0.050	0.026
Allantoate	N.D.	N.D.	N.D.	N.D.	0.021	N.D.	N.D.	N.D.	N.D.	N.D.
N-Formylmethionine	N.D.	0.013	0.0072	0.0053	0.0043	N.D.	0.0089	N.D.	N.D.	N.D.
Hippurate	N.D.	0.018	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Homovanillate	0.072	0.14	0.61	1.2	1.4	0.10	0.12	0.14	0.23	0.32
O-Phosphoserine	0.36	0.017	0.0072	0.0066	0.0081	0.35	0.10	0.18	0.31	0.33
Undecanoate	N.D.	0.0027	N.D.	N.D.	N.D.	N.D.	N.D.	0.0038	N.D.	N.D.
Azelate	0.013	0.0097	0.0060	0.0047	0.0034	0.016	0.013	0.014	0.011	0.011
N-Acetylglutamate	0.013	0.0092	0.0095	0.0061	0.0069	0.011	0.010	0.0099	0.0051	0.013
N-Acetylmethionine	0.0051	0.010	0.015	0.013	0.0090	0.0042	0.0031	0.0045	0.0036	0.0042
Quinate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.015
Phenaceturate	0.0050	0.028	0.021	0.015	0.019	0.0042	0.021	0.010	0.0086	0.010
Glucuronate	0.086	0.076	0.083	0.055	0.024	0.090	0.059	0.043	0.057	0.045
Dodecanoate	0.049	0.019	0.013	0.014	0.017	0.042	0.034	0.038	0.023	0.027
Sebacate	0.0037	0.0030	0.0010	0.00087	0.00097	0.0036	0.0040	0.0025	0.0054	0.0026
N-Acetylphenylalanine	0.0069	0.018	0.018	0.0079	0.0044	0.0066	0.012	0.015	0.016	0.012
Saccharate	N.D.	0.017	0.027	0.039	0.047	N.D.	0.019	N.D.	N.D.	N.D.
3-Indoxyl sulfate	0.0070	0.013	0.010	0.0073	0.0064	0.014	0.0085	0.0054	0.0079	0.0063
Pantothenate	0.14	0.33	4.8	6.4	6.1	0.099	0.41	1.2	4.9	6.4
Dodecanedioate	N.D.	N.D.	N.D.	N.D.	N.D.	0.0037	0.0022	0.0014	0.0014	0.0017
Sorbitol 6-phosphate	0.045	0.026	0.023	0.032	0.033	0.045	0.021	0.024	0.025	0.036
N-Acetylmuramate	N.D.	N.D.	N.D.	0.0027	0.0052	N.D.	N.D.	N.D.	N.D.	N.D.
N-Acetylglucosamine 6-phosphate	0.030	0.0065	0.0094	0.016	0.014	0.021	0.0067	0.0087	0.019	0.016
N-Acetylglucosamine 1-phosphate	0.015	0.037	0.035	0.027	0.023	0.016	0.030	0.015	0.016	0.016
N-Acetylneuraminate	0.40	0.057	0.081	0.19	0.25	0.24	0.055	0.090	0.98	1.3
CMP	0.012	0.032	0.012	0.010	0.013	0.010	0.054	0.044	0.018	0.021
UMP	0.027	0.10	0.055	0.019	0.026	0.030	0.18	0.14	0.044	0.034
AMP	0.082	0.26	0.12	0.071	0.13	0.073	0.47	0.32	0.17	0.15
IMP	0.025	0.029	0.049	0.017	0.014	0.029	0.21	0.065	0.022	0.025
GMP	0.015	0.038	0.026	0.013	0.031	0.012	0.067	0.045	0.029	0.028
XMP	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.011	N.D.	N.D.	N.D.
NADPH	0.66	0.65	1.0	0.49	0.79	0.52	0.46	0.99	0.92	0.91
CoA	0.014	0.0021	0.017	0.034	0.055	0.011	0.013	0.033	0.066	0.096
PRPP	0.042	0.068	0.24	0.028	0.012	0.014	0.044	0.053	0.051	0.033
CDP	0.020	0.10	0.075	0.0078	0.011	0.022	0.14	0.13	0.042	0.024
UDP	0.086	0.25	0.22	0.035	0.041	0.064	0.33	0.37	0.14	0.10
Isobutyryl CoA	N.D.	N.D.	0.0048	0.0076	0.011	N.D.	N.D.	N.D.	0.0059	0.0059
Malonyl CoA	N.D.	N.D.	0.015	0.018	0.019	N.D.	N.D.	N.D.	N.D.	N.D.
Adenosine 3',5'-diphosphate	0.0023	0.0038	0.0043	0.0016	0.0024	0.0034	0.0070	0.0050	0.010	0.0093
ADP	0.70	1.2	0.89	0.23	0.33	0.63	1.4	1.4	0.95	0.74
Folate	N.D.	0.046	N.D.	N.D.	N.D.	N.D.	0.025	N.D.	N.D.	N.D.
GDP	0.083	0.083	0.087	0.0055	0.0064	0.077	0.21	0.20	0.11	0.086
Adenylosuccinate	N.D.	0.0092	0.0054	0.0013	0.0023	N.D.	0.022	0.023	N.D.	N.D.
dCTP	0.012	0.0087	0.018	0.0034	0.0021	0.017	0.0070	0.0083	0.010	0.0050
dTTP	0.013	0.015	0.036	0.0055	0.0039	0.022	0.023	0.017	0.010	0.0055
CTP	0.59	0.68	1.1	0.14	0.11	0.61	0.59	0.86	0.73	0.47
UTP	1.7	1.4	2.7	0.62	0.48	1.6	1.3	2.2	2.0	1.7
dATP	N.D.	N.D.	0.013	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
ATP	12	7.3	11	3.1	3.0	11	6.6	9.8	11	8.8
GTP	1.2	1.3	2.3	0.33	0.27	1.1	1.1	1.4	1.1	0.96
CDP-choline	0.075	0.045	0.026	0.049	0.075	0.073	0.11	0.072	0.075	0.029
ADP-ribose	N.D.	N.D.	N.D.	0.021	0.026	N.D.	N.D.	N.D.	N.D.	N.D.
UDP-glucose	0.93	0.49	0.90	0.78	0.83	0.85	0.45	0.70	0.92	1.0
UDP-glucuronate	0.70	0.99	1.6	0.60	0.48	0.60	0.69	0.90	0.77	0.68
ADP-glucose	0.039	0.038	0.057	0.062	0.078	0.032	0.030	0.041	0.040	0.041
GDP-mannose	0.040	0.018	0.039	0.050	0.088	0.031	0.0084	0.018	0.019	0.026
UDP-N-acetylglucosamine	1.2	0.91	1.7	2.6	3.4	1.1	0.81	1.5	1.8	1.9
CMP-N-acetylneuraminate	0.22	0.10	0.18	0.19	0.21	0.15	0.068	0.15	0.40	0.43
NAD+	0.95	0.66	1.5	2.5	3.4	0.72	0.61	0.85	1.4	1.7
NADH	0.27	0.57	0.56	0.61	1.2	0.33	0.44	0.42	0.35	0.35
NADP+	0.032	0.025	0.040	0.027	0.043	0.018	0.022	0.026	0.044	0.044
FAD	0.037	0.035	0.042	0.066	0.11	0.029	0.020	0.041	0.047	0.070
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	PubChem
G1P	C00103	65533
G6P	C00092	5958
F6P	C00085	69507
F1,6P	C00354	172313
DHAP	C00111	668
Glycerophosphate	C00093	439162
G3P	C00661	729
2,3-DPG	C01159	186004
3PG	C00197	439183
2PG	C00631	439278
PEP	C00074	1005
Pyruvate	C00022	1060
Lactate	C00186	107689
Acetyl CoA	C00024	444493
Citrate	C00158	19782904
cis-Aconitate	C00417	643757
Isocitrate	C00311	1198
2-Oxoglutarate	C00026	51
2-Hydroxyglutarate	C02630	43
Succinate	C00042	1110
Fumarate	C00122	21883788
Malate	C00711	20130941
6-Phosphogluconate	C00345	91493
Ru5P	C00199	439184
R5P	C00117	439167
S7P	C05382	165007
3-Hydroxypropionate	C01013	68152
3-Methylbutanoate	C08262	10430
Malonate	C00383	23511544
3-Hydroxybutyrate	C01089	92135
2-Furoate	C01546	6919
4-Oxopentanoate	-	11579
2-Oxoisopentanoate	C00141	49
Hexanoate	C01585	8892
Benzoate	C00180	20144841
Isethionate	C05123	7866
5-Oxoproline	C01879	7405
Citraconate	C02226	643798
4-Methyl-2-oxopentanoate	C00233	70
4-Acetylbutyrate	C02129	18407
Heptanoate	C17714	8094
N-Acetyl-beta-alanine	C01073	76406
Glutarate	C00489	23322899
2-Hydroxy-4-methylpentanoate	C03264	439960
Threonate	C01620	5460407
Phosphonoacetate	C05682	546
Ethanolamine phosphate	C00346	1015
Octanoate	C06423	379
Citramalate	C02614	441696
Dihydroorotate	C00337	439216
Pelargonate	C01601	8158
3-Hydroxy-3-methylglutarate	C03761	1662
Terephthalate	C06337	22416364
Phthalate	C01606	1017
Urate	C00366	1175
Decanoate	C01571	2969
N-Acetylleucine	C02710	70912
N-Acetylaspartate	C01042	65065
Carbamoylaspartate	C00438	93072
Allantoate	C00499	203
N-Formylmethionine	C03145	439750
Hippurate	C01586	464
Homovanillate	C05582	1738
O-Phosphoserine	C01005	57689797
Undecanoate	C17715	8180
Azelate	C08261	19347555
N-Acetylglutamate	C00624	70914
N-Acetylmethionine	C02712	448580
Quinate	C00296	No result
Phenaceturate	C05598	68144
Glucuronate	C00191	444791
Dodecanoate	C02679	3893
Sebacate	C08277	5192
N-Acetylphenylalanine	C03519	74839
Saccharate	C00818	33037
3-Indoxyl sulfate	-	10258
Pantothenate	C00864	6613
Dodecanedioate	C02678	12736
Sorbitol 6-phosphate	C01096	152306
N-Acetylmuramate	C02713	5462244
N-Acetylglucosamine 6-phosphate	C00357	440996
N-Acetylglucosamine 1-phosphate	C04501	440364
N-Acetylneuraminate	C00270	439197
CMP	C00055	6131
UMP	C00105	6030
AMP	C00020	6083
IMP	C00130	8582
GMP	C00144	6804
XMP	C00655	73323
NADPH	C00005	5884
CoA	C00010	87642
PRPP	C00119	7339
CDP	C00112	6132
UDP	C00015	6031
Isobutyryl CoA	C00630	3036931
Malonyl CoA	C00083	644066
Adenosine 3',5'-diphosphate	C00054	159296
ADP	C00008	6022
Folate	C00504	6037
GDP	C00035	8977
Adenylosuccinate	C03794	447145
dCTP	C00458	65091
dTTP	C00459	64968
CTP	C00063	6176
UTP	C00075	6133
dATP	C00131	15993
ATP	C00002	5957
GTP	C00044	6830
CDP-choline	C00307	11583971
ADP-ribose	C00301	33576
UDP-glucose	C00029	8629
UDP-glucuronate	C00167	17473
ADP-glucose	C00498	16500
GDP-mannose	C00096	18396
UDP-N-acetylglucosamine	C00043	445675
CMP-N-acetylneuraminate	C00128	448209
NAD+	C00003	10897651
NADH	C00004	439153
NADP+	C00006	57525501
FAD	C00016	643975
METABOLITES_END
#END