#METABOLOMICS WORKBENCH Kaori_20250611_173838 DATATRACK_ID:6026 STUDY_ID:ST003977 ANALYSIS_ID:AN006550 PROJECT_ID:PR002491
VERSION             	1
CREATED_ON             	June 13, 2025, 1:15 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 2)
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 2B
#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	25mM_Glucose_D0	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	RAW_FILE_NAME(Anion)=01.mzML; RAW_FILE_NAME(Cation)=c01.mzML
SUBJECT_SAMPLE_FACTORS           	2	25mM_Glucose_D2	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	RAW_FILE_NAME(Anion)=02.mzML; RAW_FILE_NAME(Cation)=c02.mzML
SUBJECT_SAMPLE_FACTORS           	3	25mM_Glucose_D4	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	RAW_FILE_NAME(Anion)=03.mzML; RAW_FILE_NAME(Cation)=c03.mzML
SUBJECT_SAMPLE_FACTORS           	4	25mM_Glucose_D6	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	RAW_FILE_NAME(Anion)=04.mzML; RAW_FILE_NAME(Cation)=c04.mzML
SUBJECT_SAMPLE_FACTORS           	5	25mM_Glucose_D8	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	RAW_FILE_NAME(Anion)=05.mzML; RAW_FILE_NAME(Cation)=c05.mzML
SUBJECT_SAMPLE_FACTORS           	6	1mM_Glucose_D0	Sample source:3T3-L1 | Treatment:Glucose (1 mM)	RAW_FILE_NAME(Anion)=06.mzML; RAW_FILE_NAME(Cation)=c06.mzML
SUBJECT_SAMPLE_FACTORS           	7	1mM_Glucose_D2	Sample source:3T3-L1 | Treatment:Glucose (1 mM)	RAW_FILE_NAME(Anion)=07.mzML; RAW_FILE_NAME(Cation)=c07.mzML
SUBJECT_SAMPLE_FACTORS           	8	1mM_Glucose_D4	Sample source:3T3-L1 | Treatment:Glucose (1 mM)	RAW_FILE_NAME(Anion)=08.mzML; RAW_FILE_NAME(Cation)=c08.mzML
SUBJECT_SAMPLE_FACTORS           	9	1mM_Glucose_D6	Sample source:3T3-L1 | Treatment:Glucose (1 mM)	RAW_FILE_NAME(Anion)=09.mzML; RAW_FILE_NAME(Cation)=c09.mzML
SUBJECT_SAMPLE_FACTORS           	10	1mM_Glucose_D8	Sample source:3T3-L1 | Treatment:Glucose (1 mM)	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 differentiated with MDI mixture in the presence of 25
TR:TREATMENT_SUMMARY             	mM or 1 mM 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 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 6210 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	25mM_Glucose_D0	25mM_Glucose_D2	25mM_Glucose_D4	25mM_Glucose_D6	25mM_Glucose_D8	1mM_Glucose_D0	1mM_Glucose_D2	1mM_Glucose_D4	1mM_Glucose_D6	1mM_Glucose_D8
Factors	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	Sample source:3T3-L1 | Treatment:Glucose (25 mM)	Sample source:3T3-L1 | Treatment:Glucose (1 mM)	Sample source:3T3-L1 | Treatment:Glucose (1 mM)	Sample source:3T3-L1 | Treatment:Glucose (1 mM)	Sample source:3T3-L1 | Treatment:Glucose (1 mM)	Sample source:3T3-L1 | Treatment:Glucose (1 mM)
G1P	0.079	0.053	0.032	0.096	0.087	0.097	0.22	0.092	0.018	0.014
G6P	0.24	0.085	0.73	0.99	0.83	0.22	N.D.	0.016	0.020	0.048
F6P	0.091	0.030	0.091	0.17	0.15	0.071	N.D.	N.D.	N.D.	0.018
F1,6P	0.11	0.16	0.074	0.011	0.029	0.31	N.D.	N.D.	N.D.	N.D.
DHAP	0.31	0.18	0.024	N.D.	N.D.	0.30	N.D.	N.D.	N.D.	0.023
Glycerophosphate	0.57	0.38	4.1	3.7	4.5	0.72	0.064	0.085	0.12	0.17
3PG	0.12	0.24	0.41	0.13	0.24	0.45	0.044	0.37	0.44	0.62
2PG	0.021	0.034	0.064	0.022	0.034	0.052	N.D.	0.050	0.068	0.086
PEP	0.065	0.10	0.14	0.075	0.10	0.16	0.048	0.20	0.32	0.45
Pyruvate	0.69	2.5	4.1	1.8	1.4	4.7	2.1	0.80	0.37	0.34
Lactate	7.6	30	126	84	69	59	6.3	1.8	1.5	1.5
Acetyl CoA	0.0089	0.024	0.10	0.11	0.097	0.050	0.021	0.044	0.035	0.056
Citrate	0.76	3.7	4.3	3.8	5.0	6.9	1.6	0.71	0.39	0.44
cis-Aconitate	0.074	0.21	0.26	0.28	0.33	0.41	0.085	0.053	0.034	0.032
Isocitrate	0.035	0.090	0.23	0.20	0.28	0.15	N.D.	0.029	0.022	0.026
2-Oxoglutarate	1.4	2.3	2.3	2.3	2.5	4.7	2.5	1.5	1.0	1.4
2-Hydroxyglutarate	0.080	0.12	0.18	0.22	0.55	0.21	0.086	0.069	0.068	0.088
Succinyl CoA	N.D.	N.D.	0.016	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Succinate	0.50	1.1	0.96	1.1	0.78	2.2	1.1	1.7	1.8	1.4
Fumarate	0.19	1.4	1.7	1.6	1.4	2.7	0.42	0.71	0.33	0.20
Malate	0.95	4.3	5.4	4.4	4.3	8.6	1.1	1.9	0.87	0.58
6-Phosphogluconate	0.022	0.11	0.26	0.12	0.25	0.19	0.085	0.062	0.044	0.057
Ru5P	0.050	0.063	0.021	0.024	0.026	0.11	N.D.	0.022	0.019	0.034
S7P	0.069	0.060	0.28	0.43	0.28	0.078	N.D.	0.029	0.18	0.35
Propionate	N.D.	N.D.	0.20	0.083	0.11	N.D.	N.D.	N.D.	N.D.	N.D.
Glycolate	0.61	0.54	0.23	0.22	0.21	1.3	0.82	0.36	0.30	0.37
Pentanoate + 3-Methylbutanoate	N.D.	0.056	0.035	N.D.	0.019	N.D.	0.059	0.031	N.D.	N.D.
Malonate	0.090	0.087	0.098	0.094	0.11	0.16	0.10	0.069	0.055	0.065
2-Hydroxyisobutyrate	N.D.	N.D.	0.0043	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.0090
2-Hydroxybutyrate	N.D.	0.025	0.038	0.034	0.030	N.D.	N.D.	N.D.	N.D.	N.D.
3-Hydroxybutyrate	0.071	0.19	0.59	0.63	0.61	0.29	0.20	0.12	0.064	0.051
Glycerate	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.20	0.25
2-Oxoisopentanoate	0.090	0.28	0.72	0.56	0.36	0.49	0.55	0.18	0.068	0.089
4-Oxopentanoate	0.18	0.087	0.054	0.053	0.041	0.19	0.12	0.044	0.051	0.056
Hexanoate	0.036	0.044	0.015	0.0081	0.012	0.068	0.064	0.029	0.013	0.028
2-Hydroxypentanoate	0.16	0.14	0.59	0.74	0.77	0.28	0.22	0.30	0.22	0.15
Isethionate	N.D.	0.023	0.026	0.059	0.080	0.035	0.031	0.032	0.038	0.068
5-Oxoproline	1.4	6.5	11	4.6	3.6	12	3.2	0.55	0.34	0.48
4-Oxohexanoate + 4-Acetylbutyrate	0.10	0.055	0.035	0.029	0.029	0.14	0.10	0.042	0.029	0.045
Heptanoate	0.044	0.048	0.023	0.031	0.046	0.10	0.077	0.041	0.037	0.032
N-Acetyl-beta-alanine	0.040	0.074	0.13	0.073	0.046	0.20	0.13	0.083	0.071	0.057
Glutarate	0.025	0.034	0.038	0.020	0.018	0.065	0.036	0.024	0.021	0.023
Threonate	0.25	0.34	0.98	0.97	0.93	0.65	0.14	0.076	0.094	0.14
Ethanolamine phosphate	8.3	6.1	1.4	2.6	2.2	12	9.1	7.9	8.3	11
Octanoate	0.043	0.040	0.033	0.045	0.058	0.093	0.060	0.032	0.030	0.028
Adipate	0.044	0.030	0.025	0.026	0.029	0.062	0.064	0.029	0.029	0.036
threo-beta-methylaspartate + Glu	47	38	11	8.9	11	72	59	46	37	49
Citramalate	0.011	0.023	0.016	0.024	0.043	0.033	N.D.	0.0077	0.011	0.014
Dihydroorotate	N.D.	0.066	N.D.	N.D.	N.D.	0.10	N.D.	N.D.	N.D.	N.D.
Pelargonate	0.11	0.10	0.052	0.024	0.035	0.22	0.16	0.087	0.035	0.083
3-Hydroxy-3-methylglutarate	0.020	0.028	0.051	0.066	0.12	0.055	0.041	0.043	0.033	0.040
Terephthalate	0.031	0.020	0.0062	0.0054	0.0053	0.046	0.022	0.0100	0.011	N.D.
Phthalate	0.017	0.0059	0.0029	N.D.	0.0024	0.013	0.0072	0.0041	0.0022	0.0039
Urate	N.D.	0.071	0.035	0.066	0.066	0.17	0.086	0.019	0.027	0.026
N-Acetylaspartate	0.039	0.017	0.016	0.013	0.0059	0.028	N.D.	0.014	0.017	0.0088
Carbamoylaspartate	0.039	0.18	0.21	0.11	0.100	0.43	0.064	0.032	0.049	0.066
N-Formylmethionine	N.D.	N.D.	0.011	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
Homovanillate	0.063	N.D.	1.4	1.5	1.2	0.25	N.D.	N.D.	N.D.	N.D.
O-Phosphoserine	0.42	0.26	N.D.	N.D.	N.D.	0.53	0.52	0.83	1.1	1.4
Azelate	0.015	0.013	0.0037	0.0037	0.0036	0.030	0.017	0.0064	0.0078	0.0063
N-Acetylglutamate	0.012	0.014	0.016	0.0092	0.0070	0.027	N.D.	N.D.	N.D.	N.D.
N-Acetylmethionine	N.D.	N.D.	0.098	0.048	0.032	N.D.	N.D.	N.D.	N.D.	N.D.
Gluconate	0.64	1.1	3.3	2.1	1.9	2.2	0.50	0.64	0.93	1.1
Sebacate	0.0079	0.0048	0.0013	0.0014	N.D.	0.0099	N.D.	0.0023	0.0027	N.D.
Saccharate	N.D.	N.D.	0.038	0.032	0.033	0.034	N.D.	0.021	0.023	0.040
Pantothenate	0.18	2.3	5.6	5.0	3.7	4.3	0.89	3.0	3.2	3.4
N-Acetylglucosamine 1-phosphate	N.D.	0.049	0.042	0.020	0.020	0.11	N.D.	0.0095	0.020	0.025
N-Acetylglucosamine 6-phosphate	0.029	N.D.	0.020	N.D.	0.010	N.D.	N.D.	N.D.	0.014	0.017
N-Acetylneuraminate	0.41	0.087	0.14	0.24	0.24	0.17	0.54	0.19	0.16	0.39
Ribulose 1,5-diphosphate	N.D.	0.023	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
CMP	0.020	0.031	0.011	0.012	0.012	0.066	0.081	0.032	0.020	0.028
UMP	0.022	0.10	0.050	0.028	0.037	0.22	0.085	0.027	0.027	0.027
AMP	0.095	0.18	0.084	0.11	0.13	0.34	0.20	0.094	0.10	0.13
IMP	0.023	0.022	0.011	N.D.	0.0087	0.046	N.D.	0.017	0.022	0.027
GMP	N.D.	0.036	N.D.	0.015	0.028	0.064	0.026	0.033	0.032	0.049
NADPH	N.D.	0.18	0.19	0.065	0.085	0.37	0.23	0.24	0.099	0.16
CoA	N.D.	N.D.	0.15	0.074	0.074	0.084	0.12	0.17	0.20	0.48
PRPP	N.D.	N.D.	0.024	N.D.	0.0091	N.D.	N.D.	N.D.	N.D.	0.011
CDP	0.031	0.16	0.020	0.0093	0.011	0.33	0.16	0.053	0.021	0.047
UDP	0.083	0.44	0.11	0.033	0.049	0.83	0.47	0.20	0.11	0.16
Isobutyryl CoA	N.D.	N.D.	0.0055	0.0066	0.0040	N.D.	N.D.	N.D.	N.D.	N.D.
Malonyl CoA	N.D.	N.D.	0.013	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
ADP	0.61	0.95	0.14	0.044	0.10	2.3	1.4	0.78	0.55	0.95
Folate	N.D.	0.049	N.D.	N.D.	N.D.	0.097	0.049	N.D.	N.D.	N.D.
GDP	0.10	0.23	0.025	N.D.	0.014	0.41	0.20	0.13	0.046	0.10
dTTP	N.D.	0.031	0.012	N.D.	N.D.	0.068	0.024	N.D.	N.D.	N.D.
CTP	0.71	1.7	0.42	0.081	0.11	3.3	1.2	1.3	0.39	0.76
UTP	1.6	3.7	1.4	0.26	0.35	6.9	2.8	3.2	1.4	2.2
ATP	11	13	7.9	1.9	3.1	26	13	14	6.9	14
GTP	2.6	5.1	2.1	0.35	0.56	9.5	3.1	4.2	0.76	2.8
CDP-choline	N.D.	0.070	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	0.14	0.25
ADP-ribose	N.D.	N.D.	0.010	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.
UDP-glucose	0.99	1.0	1.00	0.60	0.54	2.0	N.D.	0.070	0.17	0.45
UDP-glucuronate	0.72	2.1	1.6	0.33	0.30	4.1	0.064	0.32	0.41	0.59
ADP-glucose	N.D.	0.040	0.067	0.050	0.045	0.080	N.D.	0.049	0.059	0.071
GDP-mannose	N.D.	N.D.	0.065	0.064	0.076	N.D.	N.D.	N.D.	N.D.	N.D.
UDP-N-acetylglucosamine	1.3	1.3	2.5	2.6	1.7	2.7	1.3	1.2	1.1	1.4
CMP-N-acetylneuraminate	0.18	0.11	0.24	0.16	0.16	0.24	0.78	0.47	0.29	0.39
NAD+	1.1	1.2	2.7	3.1	3.1	2.4	1.0	1.7	2.5	3.2
NADH	N.D.	N.D.	0.27	0.32	0.37	N.D.	N.D.	N.D.	0.018	N.D.
NADP+	N.D.	0.039	0.036	0.032	0.033	0.086	0.080	0.10	0.12	0.16
FAD	N.D.	N.D.	N.D.	0.073	0.079	N.D.	N.D.	N.D.	N.D.	0.097
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
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
Succinyl CoA	C00091	92133
Succinate	C00042	1110
Fumarate	C00122	21883788
Malate	C00711	20130941
6-Phosphogluconate	C00345	91493
Ru5P	C00199	439184
S7P	C05382	165007
Propionate	C00163	1032
Glycolate	C00160	3698251
Pentanoate + 3-Methylbutanoate	C00803+C08262	7991+10430
Malonate	C00383	23511544
2-Hydroxyisobutyrate	-	11671
2-Hydroxybutyrate	C05984	440864
3-Hydroxybutyrate	C01089	92135
Glycerate	C00258	439194
2-Oxoisopentanoate	C00141	49
4-Oxopentanoate	-	11579
Hexanoate	C01585	8892
2-Hydroxypentanoate	-	98009
Isethionate	C05123	7866
5-Oxoproline	C01879	7405
4-Oxohexanoate + 4-Acetylbutyrate	-+C2129	3799774+18407
Heptanoate	C17714	8094
N-Acetyl-beta-alanine	C01073	76406
Glutarate	C00489	23322899
Threonate	C01620	5460407
Ethanolamine phosphate	C00346	1015
Octanoate	C06423	379
Adipate	C06104	196
threo-beta-methylaspartate + Glu	C03618+C00025	440064+33032
Citramalate	C02614	441696
Dihydroorotate	C00337	439216
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
N-Formylmethionine	C03145	439750
Homovanillate	C05582	1738
O-Phosphoserine	C01005	57689797
Azelate	C08261	19347555
N-Acetylglutamate	C00624	70914
N-Acetylmethionine	C02712	448580
Gluconate	C00257	10690
Sebacate	C08277	5192
Saccharate	C00818	33037
Pantothenate	C00864	6613
N-Acetylglucosamine 1-phosphate	C04501	440364
N-Acetylglucosamine 6-phosphate	C00357	440996
N-Acetylneuraminate	C00270	439197
Ribulose 1,5-diphosphate	C01182	123658
CMP	C00055	6131
UMP	C00105	6030
AMP	C00020	6083
IMP	C00130	8582
GMP	C00144	6804
NADPH	C00005	5884
CoA	C00010	87642
PRPP	C00119	7339
CDP	C00112	6132
UDP	C00015	6031
Isobutyryl CoA	C00630	3036931
Malonyl CoA	C00083	644066
ADP	C00008	6022
Folate	C00504	6037
GDP	C00035	8977
dTTP	C00459	64968
CTP	C00063	6176
UTP	C00075	6133
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