#METABOLOMICS WORKBENCH Kaori_20250611_192128 DATATRACK_ID:6029 STUDY_ID:ST003985 ANALYSIS_ID:AN006563 PROJECT_ID:PR002491
VERSION             	1
CREATED_ON             	June 16, 2025, 11:23 pm
#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 5)
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 S1H
#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           	6	3T3-L1_0h	Sample source:3T3-L1 | Treatment:13C6-Glucose	RAW_FILE_NAME(Anion)=6_d2.mzML; RAW_FILE_NAME(Cation)=6_d5.mzML; RAW_FILE_NAME(Glucose)=g6_d2-3.mzML
SUBJECT_SAMPLE_FACTORS           	7	3T3-L1_1h	Sample source:3T3-L1 | Treatment:13C6-Glucose	RAW_FILE_NAME(Anion)=7_d2.mzML; RAW_FILE_NAME(Cation)=7_d5.mzML; RAW_FILE_NAME(Glucose)=g7_d2-2.mzML
SUBJECT_SAMPLE_FACTORS           	8	3T3-L1_2h	Sample source:3T3-L1 | Treatment:13C6-Glucose	RAW_FILE_NAME(Anion)=8_d2.mzML; RAW_FILE_NAME(Cation)=8_d5.mzML; RAW_FILE_NAME(Glucose)=g8_d2.mzML
SUBJECT_SAMPLE_FACTORS           	9	3T3-L1_4h	Sample source:3T3-L1 | Treatment:13C6-Glucose	RAW_FILE_NAME(Anion)=9_d2.mzML; RAW_FILE_NAME(Cation)=9_d5.mzML; RAW_FILE_NAME(Glucose)=g9_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 4ºC. 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 -80ºC until analysis. At the time 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 mixture until day 4 and
TR:TREATMENT_SUMMARY             	treated with 25 mM 13C glucose.
#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                   	COSMO(+) capillary i. d. 50 µm x 105 cm
CH:SOLVENT_A                     	100% Water; 50 mM deuterated ammonium acetate (CD3COOND4), 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 6230 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	3T3-L1_0h	3T3-L1_1h	3T3-L1_2h	3T3-L1_4h
Factors	Sample source:3T3-L1 | Treatment:13C6-Glucose	Sample source:3T3-L1 | Treatment:13C6-Glucose	Sample source:3T3-L1 | Treatment:13C6-Glucose	Sample source:3T3-L1 | Treatment:13C6-Glucose
G1P	0.063	0.022	0.022	0.025
G1P(m+06)	N.D.	0.069	0.036	N.D.
G6P	0.52	0.057	0.055	0.059
G6P(m+01)	0.021	N.D.	N.D.	N.D.
G6P(m+02)	N.D.	N.D.	N.D.	N.D.
G6P(m+05)	N.D.	0.020	N.D.	N.D.
G6P(m+06)	N.D.	0.16	0.12	0.082
F6P	0.11	N.D.	N.D.	N.D.
F6P(m+06)	N.D.	0.049	N.D.	0.025
F1,6P	0.18	0.027	0.014	0.011
F1,6P(m+01)	0.020	N.D.	N.D.	N.D.
F1,6P(m+03)	N.D.	0.061	N.D.	N.D.
F1,6P(m+05)	N.D.	0.028	N.D.	N.D.
F1,6P(m+06)	N.D.	0.48	0.10	0.080
DHAP	0.83	0.092	0.046	0.056
DHAP(m+01)	0.038	N.D.	N.D.	N.D.
DHAP(m+02)	N.D.	0.046	N.D.	N.D.
DHAP(m+03)	N.D.	0.68	0.29	0.16
Glycerophosphate	4.6	0.37	0.30	0.32
Glycerophosphate(m+01)	0.19	0.045	0.042	N.D.
Glycerophosphate(m+02)	0.076	0.088	0.048	0.048
Glycerophosphate(m+03)	N.D.	2.1	1.0	0.73
G3P	0.19	0.040	N.D.	N.D.
G3P(m+03)	N.D.	0.20	0.066	N.D.
2,3-DPG(m+03)	N.D.	N.D.	N.D.	N.D.
3PG	0.53	0.053	0.049	0.073
3PG(m+03)	N.D.	0.17	0.072	0.050
2PG	0.096	N.D.	0.011	N.D.
PEP	0.30	0.049	0.045	0.051
PEP(m+03)	N.D.	0.079	0.043	N.D.
Pyruvate	6.7	0.64	0.50	0.48
Pyruvate(m+01)	0.22	N.D.	N.D.	N.D.
Pyruvate(m+03)	N.D.	1.1	0.62	0.43
Lactate	140	5.7	4.9	6.2
Lactate(m+01)	4.6	0.36	0.38	0.48
Lactate(m+02)	0.79	0.87	0.72	0.72
Lactate(m+03)	N.D.	9.2	5.0	3.2
Acetyl CoA	0.26	0.096	0.063	0.050
Acetyl CoA(m+01)	0.080	0.033	0.023	0.018
Acetyl CoA(m+02)	0.038	0.076	0.045	0.032
Acetyl CoA(m+03)	N.D.	0.025	N.D.	N.D.
Citrate	3.1	1.0	0.70	0.48
Citrate(m+01)	0.22	0.16	0.11	0.10
Citrate(m+02)	0.057	0.74	0.46	0.39
Citrate(m+03)	N.D.	0.51	0.30	0.26
Citrate(m+04)	N.D.	0.19	0.12	0.14
Citrate(m+05)	N.D.	0.36	0.17	0.14
Citrate(m+06)	N.D.	0.040	0.020	0.020
cis-Aconitate	0.13	0.045	0.029	0.018
cis-Aconitate(m+01)	0.010	N.D.	N.D.	N.D.
cis-Aconitate(m+02)	N.D.	0.028	0.017	0.017
cis-Aconitate(m+03)	N.D.	0.021	0.013	0.012
cis-Aconitate(m+04)	N.D.	N.D.	N.D.	N.D.
cis-Aconitate(m+05)	N.D.	0.017	0.0084	N.D.
Isocitrate	0.097	0.030	0.015	N.D.
2-Oxoglutarate	3.1	0.94	0.61	0.38
2-Oxoglutarate(m+01)	0.14	N.D.	N.D.	N.D.
2-Oxoglutarate(m+02)	0.051	0.25	0.17	0.17
2-Oxoglutarate(m+03)	N.D.	0.096	0.068	0.063
2-Oxoglutarate(m+04)	N.D.	0.071	0.060	N.D.
2-Hydroxyglutarate	0.21	0.17	0.11	0.083
2-Hydroxyglutarate(m+01)	0.015	0.016	0.012	0.011
2-Hydroxyglutarate(m+02)	N.D.	0.028	0.024	0.030
2-Hydroxyglutarate(m+03)	N.D.	N.D.	N.D.	0.010
2-Hydroxyglutarate(m+04)	N.D.	0.013	N.D.	0.0091
Succinyl CoA	N.D.	0.037	0.047	0.068
Succinate	1.2	2.1	3.2	4.4
Succinate(m+01)	0.053	0.18	0.22	0.28
Succinate(m+02)	N.D.	0.056	0.056	0.075
Succinate(m+03)	N.D.	0.011	0.0072	N.D.
Fumarate	2.6	2.2	1.9	1.8
Fumarate(m+01)	0.13	0.24	0.25	0.28
Fumarate(m+02)	N.D.	0.47	0.51	0.58
Fumarate(m+03)	N.D.	1.3	1.1	0.98
Fumarate(m+04)	N.D.	0.12	0.097	0.12
Malate	7.7	6.5	5.3	4.8
Malate(m+01)	0.34	0.64	0.64	0.73
Malate(m+02)	0.077	1.4	1.4	1.5
Malate(m+03)	N.D.	3.9	2.9	2.7
Malate(m+04)	N.D.	0.33	0.27	0.27
6-Phosphogluconate	0.41	0.097	0.061	0.084
6-Phosphogluconate(m+01)	0.030	N.D.	N.D.	0.014
6-Phosphogluconate(m+02)	0.013	N.D.	0.012	0.014
6-Phosphogluconate(m+03)	N.D.	0.017	N.D.	0.014
6-Phosphogluconate(m+04)	N.D.	N.D.	0.014	0.019
6-Phosphogluconate(m+05)	N.D.	0.035	0.019	0.014
6-Phosphogluconate(m+06)	N.D.	0.24	0.14	0.096
Ru5P	0.14	0.040	0.023	N.D.
Ru5P(m+05)	N.D.	0.14	0.071	0.049
S7P	0.28	0.054	0.044	0.041
S7P(m+07)	N.D.	0.084	0.075	0.048
Propionate	0.33	0.15	0.14	0.13
Glycolate	0.47	0.27	0.19	0.40
Malonate	0.12	0.11	0.12	0.13
3-Hydroxybutyrate	0.61	0.41	0.37	0.30
Glycerate	0.13	0.10	0.11	0.11
2-Oxoisopentanoate	1.4	0.20	0.11	0.079
Hexanoate	N.D.	0.018	N.D.	0.020
2-Hydroxypentanoate	0.36	0.83	1.0	0.77
Benzoate	0.091	0.042	N.D.	N.D.
Isethionate	0.031	0.030	0.033	0.051
5-Oxoproline	13	0.52	0.45	0.45
4-Methyl-2-oxopentanoate	3.3	0.65	0.37	0.22
4-Acetylbutyrate	N.D.	0.033	0.024	0.041
N-Acetyl-beta-alanine	0.16	0.052	0.020	N.D.
Glutarate	0.089	0.068	0.062	0.056
2-Hydroxy-4-methylpentanoate	0.083	N.D.	N.D.	N.D.
Threonate	1.2	N.D.	N.D.	N.D.
Ethanolamine phosphate	1.7	2.2	2.5	3.4
Adipate	0.026	0.024	0.017	0.015
3-Phenylpropionate	0.050	0.40	0.45	0.52
Orotate	N.D.	0.064	N.D.	N.D.
Pelargonate	0.020	0.013	0.014	0.018
3-Hydroxy-3-methylglutarate	0.058	0.042	0.039	0.041
Terephthalate	0.037	0.042	0.032	0.040
Phthalate	0.015	0.013	0.0095	0.012
Urate	0.061	0.12	0.11	0.13
N-Acetylaspartate	0.010	0.012	0.0090	0.016
Carbamoylaspartate	0.092	0.080	N.D.	0.028
Hippurate	N.D.	N.D.	N.D.	N.D.
Homovanillate	1.4	0.68	0.32	0.22
O-Phosphoserine	N.D.	0.13	0.11	0.13
Azelate	0.010	0.0081	0.0063	0.012
N-Acetylglutamate	0.0082	0.013	N.D.	N.D.
Phenaceturate	0.099	0.048	0.026	0.017
Glucuronate	0.067	0.044	0.039	N.D.
Gluconate	0.23	0.37	0.28	0.29
Dodecanoate	0.11	0.096	0.100	0.086
N-Acetylphenylalanine	0.011	0.0085	0.0085	0.0080
Saccharate	0.013	0.016	0.012	0.018
Pantothenate	6.5	6.2	6.2	6.6
N-Acetylglucosamine 1-phosphate	0.037	0.026	0.014	N.D.
2',3'-cCMP	N.D.	0.045	N.D.	N.D.
N-Acetylneuraminate	0.098	0.12	0.10	0.11
CMP	N.D.	0.054	0.038	0.027
UMP	0.032	0.13	0.074	0.061
AMP	0.12	0.59	0.29	0.25
GMP	N.D.	0.075	0.048	0.043
NADPH	0.19	0.40	0.19	0.20
CoA	0.11	0.11	0.094	0.11
CDP	0.026	0.056	0.042	0.038
UDP	0.095	0.15	0.099	0.12
Isobutyryl CoA	0.022	0.0099	0.0074	0.011
ADP	0.33	0.78	0.55	0.50
Folate	N.D.	N.D.	N.D.	N.D.
GDP	N.D.	0.14	0.062	0.063
CTP	0.48	0.58	0.36	0.50
UTP	2.0	1.6	1.1	1.6
ATP	6.2	6.2	3.9	5.5
GTP	0.72	0.87	0.45	0.56
CDP-choline	N.D.	0.063	0.073	0.077
UDP-glucose	1.5	0.19	0.49	0.80
UDP-glucuronate	1.4	1.7	1.0	0.72
ADP-glucose	0.096	0.071	0.037	0.062
GDP-mannose	0.081	N.D.	N.D.	N.D.
UDP-N-acetylglucosamine	3.1	2.1	1.6	1.5
CMP-N-acetylneuraminate	0.26	0.33	0.35	0.37
NADm+	2.9	2.5	2.2	1.8
NADH	0.39	0.34	0.26	0.22
NADPm+	N.D.	0.037	N.D.	N.D.
FAD	N.D.	0.097	0.080	N.D.
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	PubChem
G1P	C00103	65533
G1P(m+06)	-	-
G6P	C00092	5958
G6P(m+01)	-	-
G6P(m+02)	-	-
G6P(m+05)	-	-
G6P(m+06)	-	-
F6P	C00085	69507
F6P(m+06)	-	-
F1,6P	C00354	172313
F1,6P(m+01)	-	-
F1,6P(m+03)	-	-
F1,6P(m+05)	-	-
F1,6P(m+06)	-	-
DHAP	C00111	668
DHAP(m+01)	-	-
DHAP(m+02)	-	-
DHAP(m+03)	-	-
Glycerophosphate	C00093	439162
Glycerophosphate(m+01)	-	-
Glycerophosphate(m+02)	-	-
Glycerophosphate(m+03)	-	-
G3P	C00661	729
G3P(m+03)	-	-
2,3-DPG(m+03)	-	-
3PG	C00197	439183
3PG(m+03)	-	-
2PG	C00631	439278
PEP	C00074	1005
PEP(m+03)	-	-
Pyruvate	C00022	1060
Pyruvate(m+01)	-	-
Pyruvate(m+03)	-	-
Lactate	C00186	107689
Lactate(m+01)	-	-
Lactate(m+02)	-	-
Lactate(m+03)	-	-
Acetyl CoA	C00024	444493
Acetyl CoA(m+01)	-	-
Acetyl CoA(m+02)	-	-
Acetyl CoA(m+03)	-	-
Citrate	C00158	19782904
Citrate(m+01)	-	-
Citrate(m+02)	-	-
Citrate(m+03)	-	-
Citrate(m+04)	-	-
Citrate(m+05)	-	-
Citrate(m+06)	-	-
cis-Aconitate	C00417	643757
cis-Aconitate(m+01)	-	-
cis-Aconitate(m+02)	-	-
cis-Aconitate(m+03)	-	-
cis-Aconitate(m+04)	-	-
cis-Aconitate(m+05)	-	-
Isocitrate	C00311	1198
2-Oxoglutarate	C00026	51
2-Oxoglutarate(m+01)	-	-
2-Oxoglutarate(m+02)	-	-
2-Oxoglutarate(m+03)	-	-
2-Oxoglutarate(m+04)	-	-
2-Hydroxyglutarate	C02630	43
2-Hydroxyglutarate(m+01)	-	-
2-Hydroxyglutarate(m+02)	-	-
2-Hydroxyglutarate(m+03)	-	-
2-Hydroxyglutarate(m+04)	-	-
Succinyl CoA	C00091	92133
Succinate	C00042	1110
Succinate(m+01)	-	-
Succinate(m+02)	-	-
Succinate(m+03)	-	-
Fumarate	C00122	21883788
Fumarate(m+01)	-	-
Fumarate(m+02)	-	-
Fumarate(m+03)	-	-
Fumarate(m+04)	-	-
Malate	C00711	20130941
Malate(m+01)	-	-
Malate(m+02)	-	-
Malate(m+03)	-	-
Malate(m+04)	-	-
6-Phosphogluconate	C00345	91493
6-Phosphogluconate(m+01)	-	-
6-Phosphogluconate(m+02)	-	-
6-Phosphogluconate(m+03)	-	-
6-Phosphogluconate(m+04)	-	-
6-Phosphogluconate(m+05)	-	-
6-Phosphogluconate(m+06)	-	-
Ru5P	C00199	439184
Ru5P(m+05)	-	-
S7P	C05382	165007
S7P(m+07)	-	-
Propionate	C00163	1032
Glycolate	C00160	3698251
Malonate	C00383	23511544
3-Hydroxybutyrate	C01089	92135
Glycerate	C00258	439194
2-Oxoisopentanoate	C00141	49
Hexanoate	C01585	8892
2-Hydroxypentanoate	-	98009
Benzoate	C00180	20144841
Isethionate	C05123	7866
5-Oxoproline	C01879	7405
4-Methyl-2-oxopentanoate	C00233	70
4-Acetylbutyrate	C02129	18407
N-Acetyl-beta-alanine	C01073	76406
Glutarate	C00489	23322899
2-Hydroxy-4-methylpentanoate	C03264	439960
Threonate	C01620	5460407
Ethanolamine phosphate	C00346	1015
Adipate	C06104	196
3-Phenylpropionate	C05629	107
Orotate	C00295	967
Pelargonate	C01601	8158
3-Hydroxy-3-methylglutarate	C03761	1662
Terephthalate	C06337	22416364
Phthalate	C01606	1017
Urate	C00366	1175
N-Acetylaspartate	C01042	65065
Carbamoylaspartate	C00438	93072
Hippurate	C01586	464
Homovanillate	C05582	1738
O-Phosphoserine	C01005	57689797
Azelate	C08261	19347555
N-Acetylglutamate	C00624	70914
Phenaceturate	C05598	68144
Glucuronate	C00191	444791
Gluconate	C00257	10690
Dodecanoate	C02679	3893
N-Acetylphenylalanine	C03519	74839
Saccharate	C00818	33037
Pantothenate	C00864	6613
N-Acetylglucosamine 1-phosphate	C04501	440364
2',3'-cCMP	C02354	68934
N-Acetylneuraminate	C00270	439197
CMP	C00055	6131
UMP	C00105	6030
AMP	C00020	6083
GMP	C00144	6804
NADPH	C00005	5884
CoA	C00010	87642
CDP	C00112	6132
UDP	C00015	6031
Isobutyryl CoA	C00630	3036931
ADP	C00008	6022
Folate	C00504	6037
GDP	C00035	8977
CTP	C00063	6176
UTP	C00075	6133
ATP	C00002	5957
GTP	C00044	6830
CDP-choline	C00307	11583971
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
NADm+	C00003	10897651
NADH	C00004	439153
NADPm+	C00006	57525501
FAD	C00016	643975
METABOLITES_END
#END