#METABOLOMICS WORKBENCH Zhulab_20221115_103729 DATATRACK_ID:3574 STUDY_ID:ST002379 ANALYSIS_ID:AN003878 PROJECT_ID:PR001524
VERSION             	1
CREATED_ON             	December 1, 2022, 10:24 am
#PROJECT
PR:PROJECT_TITLE                 	Pyruvate dehydrogenase kinase supports macrophage NLRP3 inflammasome activation
PR:PROJECT_TITLE                 	during acute inflammation
PR:PROJECT_TYPE                  	Basic research
PR:PROJECT_SUMMARY               	Activating macrophage NLRP3 inflammasome can promote excessive inflammation,
PR:PROJECT_SUMMARY               	with severe cell and tissue damage and organ dysfunction. Here, we show that
PR:PROJECT_SUMMARY               	pharmacological or genetic inhibition of pyruvate dehydrogenase kinase (PDHK)
PR:PROJECT_SUMMARY               	significantly attenuates NLRP3 inflammasome activation in murine and human
PR:PROJECT_SUMMARY               	macrophages and septic mice by lowering caspase-1 cleavage and IL-1beta
PR:PROJECT_SUMMARY               	secretion. Inhibiting PDHK reverses NLRP3 inflammasome-induced metabolic
PR:PROJECT_SUMMARY               	reprogramming, enhances autophagy, promotes mitochondrial fusion over fission,
PR:PROJECT_SUMMARY               	preserves cristae ultrastructure, and attenuates mitochondrial ROS production.
PR:PROJECT_SUMMARY               	The suppressive effect of PDHK inhibition on the NLRP3 inflammasome is
PR:PROJECT_SUMMARY               	independent of its canonical role as a pyruvate dehydrogenase regulator. We
PR:PROJECT_SUMMARY               	suggest that PDHK inhibition improves mitochondrial fitness by reversing NLRP3
PR:PROJECT_SUMMARY               	inflammasome activation in acutely inflamed macrophages.
PR:INSTITUTE                     	Wake Forest School of Medicine
PR:LAST_NAME                     	Zhu
PR:FIRST_NAME                    	Xuewei
PR:ADDRESS                       	575 Patterson Ave
PR:EMAIL                         	xwzhu@wakehealth.edu
PR:PHONE                         	3367131445
#STUDY
ST:STUDY_TITLE                   	Glucose flux analysis of NLRP3 inflammasome activated macrophages
ST:STUDY_TYPE                    	Basic research
ST:STUDY_SUMMARY                 	Activating macrophage NLRP3 inflammasome can promote excessive inflammation,
ST:STUDY_SUMMARY                 	with severe cell and tissue damage and organ dysfunction. Here, we show that
ST:STUDY_SUMMARY                 	pharmacological or genetic inhibition of pyruvate dehydrogenase kinase (PDHK)
ST:STUDY_SUMMARY                 	significantly attenuates NLRP3 inflammasome activation in murine and human
ST:STUDY_SUMMARY                 	macrophages and septic mice by lowering caspase-1 cleavage and IL-1beta
ST:STUDY_SUMMARY                 	secretion. Inhibiting PDHK reverses NLRP3 inflammasome-induced metabolic
ST:STUDY_SUMMARY                 	reprogramming, enhances autophagy, promotes mitochondrial fusion over fission,
ST:STUDY_SUMMARY                 	preserves cristae ultrastructure, and attenuates mitochondrial ROS production.
ST:STUDY_SUMMARY                 	The suppressive effect of PDHK inhibition on the NLRP3 inflammasome is
ST:STUDY_SUMMARY                 	independent of its canonical role as a pyruvate dehydrogenase regulator. We
ST:STUDY_SUMMARY                 	suggest that PDHK inhibition improves mitochondrial fitness by reversing NLRP3
ST:STUDY_SUMMARY                 	inflammasome activation in acutely inflamed macrophages.
ST:INSTITUTE                     	Wake Forest School of Medicine
ST:LAST_NAME                     	Zhu
ST:FIRST_NAME                    	Xuewei
ST:ADDRESS                       	575 Patterson Ave, Winston-Salem, NC 27101
ST:EMAIL                         	xwzhu@wakehealth.edu
ST:PHONE                         	3367131445
#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           	-	Ctrl_C_1	Treatment:No treatment	RAW_FILE_NAME=Ctril_C_1.raw
SUBJECT_SAMPLE_FACTORS           	-	Ctrl_C_2	Treatment:No treatment	RAW_FILE_NAME=Ctril_C_2.raw
SUBJECT_SAMPLE_FACTORS           	-	Ctrl_C_3	Treatment:No treatment	RAW_FILE_NAME=Ctril_C_3.raw
SUBJECT_SAMPLE_FACTORS           	-	LPS_1	Treatment:LPS	RAW_FILE_NAME=LPS_1.raw
SUBJECT_SAMPLE_FACTORS           	-	LPS_2	Treatment:LPS	RAW_FILE_NAME=LPS_2.raw
SUBJECT_SAMPLE_FACTORS           	-	LPS_3	Treatment:LPS	RAW_FILE_NAME=LPS_3.raw
SUBJECT_SAMPLE_FACTORS           	-	LPS_ATP_1	Treatment:LPS+ATP	RAW_FILE_NAME=LPS_ATP_1.raw
SUBJECT_SAMPLE_FACTORS           	-	LPS_ATP_2	Treatment:LPS+ATP	RAW_FILE_NAME=LPS_ATP_2.raw
SUBJECT_SAMPLE_FACTORS           	-	LPS_ATP_3	Treatment:LPS+ATP	RAW_FILE_NAME=LPS_ATP_3.raw
SUBJECT_SAMPLE_FACTORS           	-	LPS_JX06_ATP_1	Treatment:JPS+JX06+ATP	RAW_FILE_NAME=LPS_JX06_ATP_1.raw
SUBJECT_SAMPLE_FACTORS           	-	LPS_JX06_ATP_2	Treatment:JPS+JX06+ATP	RAW_FILE_NAME=LPS_JX06_ATP_2.raw
SUBJECT_SAMPLE_FACTORS           	-	LPS_JX06_ATP_3	Treatment:JPS+JX06+ATP	RAW_FILE_NAME=LPS_JX06_ATP_3.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse bone marrow was cultured in low glucose DMEM supplemented with 30% L929
CO:COLLECTION_SUMMARY            	cell-conditioned medium, 20% FBS, 2 mM L-glutamine, 1 mM sodium pyruvate, 100
CO:COLLECTION_SUMMARY            	U/ml penicillin, and 100 µg/ml streptomycin for 6-7 days until the cells
CO:COLLECTION_SUMMARY            	reached confluence. BMDMs were then reseeded in culture dishes overnight in
CO:COLLECTION_SUMMARY            	RPMI-1640 medium containing 1% Nutridoma-SP medium (Sigma-Aldrich). LPS-primed
CO:COLLECTION_SUMMARY            	BMDMs were stimulated with 5 mM ATP in the presence or absence of 10 uM JX06 for
CO:COLLECTION_SUMMARY            	30 min. Unstimulated macrophages were used as control.13C tracing started by
CO:COLLECTION_SUMMARY            	replacing medium with glucose-free medium supplemented with 2.06 g/L
CO:COLLECTION_SUMMARY            	[U-13C]-glucose (Cayman Chemical) for 90 min. Cells were washed with ice-cold
CO:COLLECTION_SUMMARY            	saline and intracellular metabolites were extracted using cold methanol and H2O
CO:COLLECTION_SUMMARY            	(80:20; HPLC Grade; Sigma-Aldrich). Here, we show that pharmacological or
CO:COLLECTION_SUMMARY            	genetic inhibition of pyruvate dehydrogenase kinase (PDHK) significantly
CO:COLLECTION_SUMMARY            	attenuates NLRP3 inflammasome activation in murine and human macrophages and
CO:COLLECTION_SUMMARY            	septic mice by lowering caspase-1 cleavage and IL-1beta secretion. Inhibiting
CO:COLLECTION_SUMMARY            	PDHK reverses NLRP3 inflammasome-induced metabolic reprogramming, enhances
CO:COLLECTION_SUMMARY            	autophagy, promotes mitochondrial fusion over fission, preserves cristae
CO:COLLECTION_SUMMARY            	ultrastructure, and attenuates mitochondrial ROS production. The suppressive
CO:COLLECTION_SUMMARY            	effect of PDHK inhibition on the NLRP3 inflammasome is independent of its
CO:COLLECTION_SUMMARY            	canonical role as a pyruvate dehydrogenase regulator. We suggest that PDHK
CO:COLLECTION_SUMMARY            	inhibition improves mitochondrial fitness by reversing NLRP3 inflammasome
CO:COLLECTION_SUMMARY            	activation in acutely inflamed macrophages.
CO:SAMPLE_TYPE                   	Macrophages
CO:COLLECTION_METHOD             	Cells were washed with ice-cold saline and intracellular metabolites were
CO:COLLECTION_METHOD             	extracted using cold methanol and H2O (80:20; HPLC Grade; Sigma-Aldrich). The
CO:COLLECTION_METHOD             	samples were pre-dissolved into 40 µL solution (LC-water, methanol,
CO:COLLECTION_METHOD             	Acetonitrile 2:1:1) before injection.
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	LPS-primed BMDMs were stimulated with or without 5 mM ATP in the presence or
TR:TREATMENT_SUMMARY             	absence of 10 uM JX06 for 30 min. 13C tracing started by replacing medium with
TR:TREATMENT_SUMMARY             	glucose-free medium supplemented with 2.06 g/L [U-13C]-glucose (Cayman Chemical)
TR:TREATMENT_SUMMARY             	for 90 min.
TR:TREATMENT                     	in vitro cell culture treatment
TR:TREATMENT_COMPOUND            	LPS, ATP, JX06
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Macrophages were lysed, and polar metabolites were extracted using methanol and
SP:SAMPLEPREP_SUMMARY            	H2O (80:20; HPLC Grade; Sigma-Aldrich) (Liu et al., 2015). Extracts were dried
SP:SAMPLEPREP_SUMMARY            	in a vacuum concentrator at room temperature and stored at -80 freezer.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Ultimate 3000 UHPLC (Dionex) is coupled to Q Exactive Plus-Mass spectrometer
CH:CHROMATOGRAPHY_SUMMARY        	(QE-MS, Thermo Scientific) for metabolite profiling.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Waters XBridge Amide (100 x 4.6mm, 3.5um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Jason Locosale
AN:OPERATOR_NAME                 	Likun Duan
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	For each sample, 3 µL solution was injected into the LC-MS for analysis. The
MS:MS_COMMENTS                   	HPLC analysis of the isotope-labeled samples was performed using Ultimate 3000
MS:MS_COMMENTS                   	UHPLC (Dionex) as described (Duan et al., 2022). The mass spectrometry analysis
MS:MS_COMMENTS                   	was performed using Q Exactive Plus mass spectrometer (Thermo Fisher
MS:MS_COMMENTS                   	Scientific). The mass spectrometers were equipped with a HESI probe and operated
MS:MS_COMMENTS                   	in the positive/negative switching mode. When Q Exactive Plus mass spectrometer
MS:MS_COMMENTS                   	was used, the relevant parameters were as listed: heater temperature, 120 °C;
MS:MS_COMMENTS                   	sheath gas, 30; auxiliary gas, 10; sweep gas, 3; spray voltage, 3.0 kV;
MS:MS_COMMENTS                   	capillary temperature, 320°C; S-lens, 55. The resolution was set at 70,000 (at
MS:MS_COMMENTS                   	m/z 200). Maximum injection time (max IT) was set at 200 ms and automated gain
MS:MS_COMMENTS                   	control (AGC) was set at 3 × 106. The LC-MS peak extraction and integration of
MS:MS_COMMENTS                   	the raw data were performed using commercially available software Sieve 2.0
MS:MS_COMMENTS                   	(Thermo Fisher Scientific). The integrated peak area was used to calculate 13C
MS:MS_COMMENTS                   	enrichment. Natural abundance correction was performed using software R with
MS:MS_COMMENTS                   	Bioconductor R package IsoCorrectoR.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Fractional enrichment
MS_METABOLITE_DATA_START
Samples	Ctrl_C_1	Ctrl_C_2	Ctrl_C_3	LPS_1	LPS_2	LPS_3	LPS_ATP_1	LPS_ATP_2	LPS_ATP_3	LPS_JX06_ATP_1	LPS_JX06_ATP_2	LPS_JX06_ATP_3
Factors	Treatment:No treatment	Treatment:No treatment	Treatment:No treatment	Treatment:LPS	Treatment:LPS	Treatment:LPS	Treatment:LPS+ATP	Treatment:LPS+ATP	Treatment:LPS+ATP	Treatment:JPS+JX06+ATP	Treatment:JPS+JX06+ATP	Treatment:JPS+JX06+ATP
Aspartate	0.501974129	0.500588398	0.496940099	0.552796716	0.550747014	0.554508096	0.728527353	0.727321206	0.718723128	0.642121406	0.642863874	0.646908071
1[13C]Aspartate	0.068509798	0.06998721	0.06837107	0.040223885	0.038462313	0.040660272	0.050028016	0.048485326	0.051964024	0.050036639	0.049182269	0.049022698
2[13C]Aspartate	0.251399598	0.25334779	0.253672986	0.244887449	0.248624285	0.244503616	0.147124351	0.148095874	0.155351321	0.188349106	0.187303587	0.18627021
3[13C]Aspartate	0.141846164	0.141322062	0.144298263	0.129618123	0.130350579	0.129131105	0.063022107	0.064476718	0.062792344	0.098821038	0.100314951	0.097832114
4[13C]Aspartate	0.036270312	0.03475454	0.036717582	0.032473827	0.031815808	0.031196911	0.011298172	0.011620877	0.011169183	0.02067181	0.020335318	0.019966907
N(omega)-(L-Arginino)succinate	0.723301766	0.653685643	0.707759661	0.636279874	0.624716829	0.616000559	0.742562123	0.730305855	0.715430595	0.63159895	0.646392055	0.634170605
1[13C]N(omega)-(L-Arginino)succinate	0	0.025296223	0.006759818	0.024093265	0.022761538	0.03101938	0.055753185	0.074959487	0.06106321	0.053690418	0.057083471	0.042852353
2[13C]N(omega)-(L-Arginino)succinate	0.18969426	0.225638617	0.19076019	0.22323286	0.221034913	0.234624577	0.160901891	0.141202715	0.159752411	0.196596833	0.18929238	0.208763261
3[13C]N(omega)-(L-Arginino)succinate	0.087003974	0.090509766	0.09472033	0.094667925	0.115657166	0.101937731	0.035896998	0.04978177	0.058145822	0.101325584	0.095136117	0.092374966
4[13C]N(omega)-(L-Arginino)succinate	0	0.00486975	0	0.021726076	0.015829554	0.016417753	0.004885804	0.002488925	0.005607963	0.016788214	0.012095977	0.021838816
5[13C]N(omega)-(L-Arginino)succinate	0	0	0	0	0	0	0	0	0	0	0	0
6[13C]N(omega)-(L-Arginino)succinate	0	0	0	0	0	0	0	0	0	0	0	0
7[13C]N(omega)-(L-Arginino)succinate	0	0	0	0	0	0	0	0	0	0	0	0
8[13C]N(omega)-(L-Arginino)succinate	0	0	0	0	0	0	0	0	0	0	0	0
9[13C]N(omega)-(L-Arginino)succinate	0	0	0	0	0	0	0	0	0	0	0	0
10[13C]N(omega)-(L-Arginino)succinate	0	0	0	0	0	0	0	0.001261247	0	0	0	0
laurate	1	1	1	1	1	1	1	0.999997043	1	1	1	1
1[13C]laurate	0	0	0	0	0	0	0	2.95716E-06	0	0	0	0
2[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
3[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
4[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
5[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
6[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
7[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
8[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
9[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
10[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
11[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
12[13C]laurate	0	0	0	0	0	0	0	0	0	0	0	0
myristate	0.99330967	0.993808397	0.990362245	0.992828503	0.990465109	0.990675828	0.991654815	0.99251803	0.992275896	0.980344427	0.980011022	0.980344993
1[13C]myristate	0	0	0	0	0	0	0	0	0	0.00055903	0	0
2[13C]myristate	0	0	0	0	0	0	0.00080193	0.001458824	0.000775058	0.000408325	0.00037151	0.000428354
3[13C]myristate	0	0	0	0	0	0	0	0	0	0	0	0
4[13C]myristate	0	0	0.000311129	0	0	0	0.002291922	0.002198339	0.002301589	0.003297295	0.003733725	0.003212802
5[13C]myristate	0	0	0	0	0	0	0	3.65326E-05	0	0	0	0
6[13C]myristate	0.000357732	0	0.000683	0.000402099	0	0	0.002208524	0.002120381	0.002798034	0.005182756	0.005282221	0.005294107
7[13C]myristate	0	0	0	0	1.90569E-07	3.31597E-07	0	0	0	0.000107621	0	6.73299E-05
8[13C]myristate	0.002165289	0.001675293	0.002195071	0.001855725	0.001185208	0.00206023	0.001866216	0.001401038	0.00154788	0.005513162	0.005146688	0.005667726
9[13C]myristate	0	0.000412679	0.000121198	0.000266397	0	0	0	0	0	1.76302E-05	0	0
10[13C]myristate	0.002454119	0.001759896	0.002689903	0.002632131	0.003405874	0.003185816	0.001176592	0.000266856	0.000301544	0.003527508	0.003852443	0.00379376
11[13C]myristate	0	0	0	0	0	0	0	0	0	0	0	4.39034E-06
12[13C]myristate	0.001423126	0.002343734	0.003637453	0.002015145	0.004594633	0.004077795	0	0	0	0.001042246	0.00160239	0.001186538
13[13C]myristate	0	0	0	0	0.000348986	0	0	0	0	0	0	0
14[13C]myristate	0.000290064	0	0	0	0	0	0	0	0	0	0	0
palmitate	0.995606682	0.996037276	0.995759809	0.99465371	0.994964512	0.994659755	0.999757926	0.999915684	0.999897573	0.997313319	0.997867618	0.997834934
1[13C]palmitate	0	0	0	0	0	0	0	0	0	0	0	0
2[13C]palmitate	0	0	0	0	0	0	0	0	0	0	0	0
3[13C]palmitate	0	1.97142E-06	0	0	0	0	2.99914E-05	0	4.79832E-06	5.34995E-05	0	0
4[13C]palmitate	2.34564E-05	0	0	0	0	0	0	0	0	0.000392877	0.0001599	0.000172343
5[13C]palmitate	0	0	0	0	0	0	0	0	0	0	0	3.9031E-06
6[13C]palmitate	0.000164245	0.000118235	0.000101797	0.000163406	0	4.92728E-05	6.52778E-05	8.92464E-06	1.48333E-05	0.000556018	0.000347268	0.000373599
7[13C]palmitate	1.11596E-05	0	0	0	0	0	0	0	0	0	3.05406E-05	0
8[13C]palmitate	0.000593097	0.00043061	0.000431203	0.000572861	0.000405266	0.000514379	0.000103956	7.53909E-05	8.27956E-05	0.000548728	0.000457645	0.000580461
9[13C]palmitate	8.28467E-05	0	8.43136E-05	3.14539E-05	9.49034E-05	1.24593E-05	0	0	0	1.68792E-05	1.16365E-06	5.47602E-05
10[13C]palmitate	0.000776884	0.000744269	0.000884711	0.000896392	0.001229004	0.00130948	4.28488E-05	0	0	0.000485423	0.00059246	0.000603969
11[13C]palmitate	0.000237945	0.000116145	0.000158043	0.000189367	6.30675E-05	0.000153907	0	0	0	6.53061E-06	0	2.21719E-05
12[13C]palmitate	0.001005393	0.001133851	0.001131527	0.001571419	0.001355411	0.001563524	0	0	0	0.000449317	0.000440726	0.000273401
13[13C]palmitate	0.000164516	0.000220174	0.000174325	0.000174328	7.92381E-05	4.85104E-05	0	0	0	0	0	0
14[13C]palmitate	0.000948568	0.000890409	0.000984492	0.00127012	0.001332036	0.001283344	0	0	0	0.000177409	0.000102679	8.04581E-05
15[13C]palmitate	0	3.24235E-05	6.2831E-06	0	5.40632E-05	1.10763E-05	0	0	0	0	0	0
16[13C]palmitate	0.000385208	0.000274635	0.000283497	0.000476943	0.000422499	0.000394292	0	0	0	0	0	0
UDP-D-glucuronate	0.280288414	0.268635555	0.285720316	0.22413777	0.239762277	0.226222696	0.652206322	0.436581381	0.399439258	0.419761259	0.384421184	0.479307779
1[13C]UDP-D-glucuronate	0	0	0	0	0	0	0	0	0	0	0	0
2[13C]UDP-D-glucuronate	0	0.013077671	0	0	0	0	0	0	0	0	0	0
3[13C]UDP-D-glucuronate	0	0.011879218	0	0	0.004359863	0.006274771	0	0.019864243	0.02335339	0.014377419	0.047632164	0.059763081
4[13C]UDP-D-glucuronate	0	0	0.006872754	0	0	0	0	0.013801877	0.016575469	0	0.029819273	0
5[13C]UDP-D-glucuronate	0.042167764	0.085156153	0.05674416	0.040403315	0.031389347	0.067630657	0.000180229	0.02053052	0.022012214	0.043081043	0.088899209	0
6[13C]UDP-D-glucuronate	0.677543822	0.621251403	0.650662769	0.735458915	0.704854205	0.681407913	0.347613449	0.509221979	0.538619668	0.52278028	0.445253532	0.46092914
7[13C]UDP-D-glucuronate	0	0	0	0	0	0	0	0	0	0	0	0
8[13C]UDP-D-glucuronate	0	0	0	0	0.006876639	0.010183341	0	0	0	0	0	0
9[13C]UDP-D-glucuronate	0	0	0	0	0	0	0	0	0	0	0	0
10[13C]UDP-D-glucuronate	0	0	0	0	0	0	0	0	0	0	0	0
11[13C]UDP-D-glucuronate	0	0	0	0	0.012757669	0.008280622	0	0	0	0	0	0
12[13C]UDP-D-glucuronate	0	0	0	0	0	0	0	0	0	0	3.04438E-08	0
13[13C]UDP-D-glucuronate	0	0	0	0	0	0	0	0	0	0	0.003974607	0
14[13C]UDP-D-glucuronate	0	0	0	0	0	0	0	0	0	0	0	0
15[13C]UDP-D-glucuronate	0	0	0	0	0	0	0	0	0	0	0	0
UDP-glucose	0.157027463	0.152967584	0.15678583	0.132162556	0.1280652	0.129885077	0.207286074	0.208684213	0.199183661	0.194949042	0.203422223	0.19595191
1[13C]UDP-glucose	0	0.003371167	0.003373209	0.000867726	0	0.001468059	0.006299421	0.004341974	0.008512169	0.00741465	0.008522061	0.008011834
2[13C]UDP-glucose	0.00879134	0.012375832	0.011290696	0.006191858	0.007009709	0.00567472	0.023320911	0.024101416	0.025474873	0.024858286	0.024462471	0.026405203
3[13C]UDP-glucose	0.031371055	0.03121843	0.031657708	0.018126571	0.018487408	0.019304899	0.060862351	0.066400125	0.058797892	0.068801236	0.067001436	0.065628949
4[13C]UDP-glucose	0.013965418	0.01460299	0.017184271	0.007558352	0.007637782	0.008148379	0.036637882	0.038646407	0.037331975	0.048342374	0.046451469	0.046306266
5[13C]UDP-glucose	0.059858124	0.063567269	0.060573999	0.05249325	0.055995649	0.055151505	0.08451212	0.080479697	0.079471734	0.095052751	0.088876336	0.092410461
6[13C]UDP-glucose	0.684197342	0.675691894	0.673453768	0.689831046	0.69133734	0.686444573	0.554910031	0.55292519	0.565806499	0.535075088	0.534993843	0.539678595
7[13C]UDP-glucose	0.006341677	0.007057604	0.010292655	0.006645937	0.008797322	0.009515097	0.006907676	0.006439005	0.007060644	0.00778224	0.007649122	0.008565861
8[13C]UDP-glucose	0.023090053	0.023283892	0.022353299	0.026192766	0.023808462	0.026819997	0.019263535	0.017868372	0.018276322	0.017509638	0.018006221	0.017040922
9[13C]UDP-glucose	0.000368674	0.000425954	0	0.002947302	0.003782883	0.003083312	0	0	0	0.000214697	0.000575346	0
10[13C]UDP-glucose	0.000403988	0.001695835	0.001504285	0.006823465	0.006366125	0.00616461	0	0	0	0	0	0
11[13C]UDP-glucose	0.011381383	0.010598814	0.009147066	0.039021899	0.037462841	0.037012792	0	0	0	0	0	0
12[13C]UDP-glucose	0.000891424	0.000813318	0.000555686	0.004430123	0.005274293	0.004468353	0	0	0	0	0	0
13[13C]UDP-glucose	0.001356536	0.002329417	0.001827528	0.006445893	0.005414428	0.005690532	0	0	0	0	0	0
14[13C]UDP-glucose	0	0	0	0.000261257	0.000560558	0.001168095	0	0	0	0	0	0
15[13C]UDP-glucose	0.000955523	0	0	0	0	0	0	0.0001136	8.42299E-05	0	3.94722E-05	0
UDP-N-acetyl-alpha-D-glucosamine	0.781131374	0.766887152	0.772276632	0.630077204	0.633966782	0.63302323	0.706545877	0.711575428	0.690446525	0.56913609	0.57144294	0.574975879
1[13C]UDP-N-acetyl-alpha-D-glucosamine	0.006706934	0.014553625	0.00673805	0.009852425	0.008369531	0.006174564	0.017152654	0.016515237	0.016800798	0.014945826	0.01755941	0.014979555
2[13C]UDP-N-acetyl-alpha-D-glucosamine	0.059071244	0.05849957	0.056386247	0.055969651	0.055768698	0.054693395	0.053881537	0.054836304	0.051739389	0.070228368	0.071119607	0.068698277
3[13C]UDP-N-acetyl-alpha-D-glucosamine	0.004240503	0.003628075	0.00167753	0.004563024	0.004452786	0.004842432	0.017492257	0.016831702	0.018117297	0.021218702	0.023107942	0.023330149
4[13C]UDP-N-acetyl-alpha-D-glucosamine	0.006189963	0.008218818	0.008373169	0.009281748	0.011401068	0.012949307	0.022874915	0.033387604	0.033111622	0.040609274	0.050818671	0.043674659
5[13C]UDP-N-acetyl-alpha-D-glucosamine	0.012410391	0.012645172	0.012016668	0.033901071	0.031589762	0.033412263	0.019659288	0.019264748	0.021667992	0.031411099	0.031605435	0.030217781
6[13C]UDP-N-acetyl-alpha-D-glucosamine	0.037855557	0.038789344	0.040296119	0.063238239	0.059914218	0.064094389	0.093315748	0.085154726	0.097859291	0.118526687	0.109837843	0.118765555
7[13C]UDP-N-acetyl-alpha-D-glucosamine	0.007596098	0.012478638	0.011243	0.016549993	0.023295878	0.018719355	0.005936556	0.009839475	0.004249418	0.02592913	0.021744261	0.017379178
8[13C]UDP-N-acetyl-alpha-D-glucosamine	0.080902726	0.080322196	0.086495411	0.155509451	0.151287441	0.153843903	0.062106336	0.051316086	0.063982687	0.104560674	0.099212539	0.105428534
9[13C]UDP-N-acetyl-alpha-D-glucosamine	0.000404758	0	0.000148784	0.002491997	0.001383299	0	0	0	0.000551707	0.000862583	0.001029373	1.32962E-05
10[13C]UDP-N-acetyl-alpha-D-glucosamine	0.001558649	0.001966039	0.002783011	0.00567573	0.005544852	0.004950524	0.001034831	0.00127869	0.001473274	0.002499536	0.002521979	0.002537137
11[13C]UDP-N-acetyl-alpha-D-glucosamine	0.000746683	0.000386525	0.000349504	0.003454556	0.003297584	0.002957009	0	0	0	7.20327E-05	0	0
12[13C]UDP-N-acetyl-alpha-D-glucosamine	0	0.000291209	0	0.00090158	0.00203719	0.000907479	0	0	0	0	0	0
13[13C]UDP-N-acetyl-alpha-D-glucosamine	0.00118512	0.001333635	0.001099721	0.007312909	0.006836323	0.007661977	0	0	0	0	0	0
14[13C]UDP-N-acetyl-alpha-D-glucosamine	0	0	0	0.000588587	0.000282726	0.001091624	0	0	0	0	0	0
15[13C]UDP-N-acetyl-alpha-D-glucosamine	0	0	0.000116154	0.000631833	0.000571862	0.000678547	0	0	0	0	0	0
16[13C]UDP-N-acetyl-alpha-D-glucosamine	0	0	0	0	0	0	0	0	0	0	0	0
17[13C]UDP-N-acetyl-alpha-D-glucosamine	0	0	0	0	0	0	0	0	0	0	0	0
myo-inositol	0.945660534	0.944909177	0.943245877	0.952395506	0.95182168	0.951059524	0.959029525	0.962806401	0.961645976	0.954517262	0.957652654	0.95850747
1[13C]myo-inositol	3.85775E-05	0.000270779	2.50077E-05	0.000120215	0.000346415	0	0.000790336	2.21126E-05	0.000641343	0.002773295	0.000512687	0
2[13C]myo-inositol	0	0	0	0	0	0	0	0	0	0	0	0
3[13C]myo-inositol	0.001749448	0.001848236	0.001976408	0.000706172	0.000850334	0.000840659	0.001495927	0.001572222	0.001724322	0.003457233	0.003011282	0.002945514
4[13C]myo-inositol	0.000814888	0.001085665	0.001059602	4.5866E-05	0.000261082	0.000403351	0.00062057	0.000881673	0.001010841	0.002035628	0.001698699	0.002093884
5[13C]myo-inositol	0.004596761	0.004694328	0.004241173	0.003602305	0.003009374	0.003118409	0.003581119	0.003206367	0.003713419	0.004823379	0.005156452	0.004922487
6[13C]myo-inositol	0.047139791	0.047191813	0.049451932	0.043129936	0.043711116	0.044578056	0.034482523	0.031511224	0.031264098	0.032393203	0.031968225	0.031530645
ATP	0.949034119	0.942663278	0.943792127	0.901440444	0.900339732	0.893342904	0.922393925	0.957239826	0.955111548	0.969278155	0.966721997	0.965847132
1[13C]-ATP	0.001882862	0.005667434	0.00586755	0.00545388	0.006517689	0.008423986	0	0.008043147	0.008485899	0.004418685	0.008569345	0.006605437
2[13C]-ATP	0.024178329	0.024990226	0.024192282	0.025185586	0.024639328	0.02355124	0.009488489	0.024683924	0.024695429	0.023934138	0.023219853	0.025267668
3[13C]-ATP	0	0.000942176	0.000466646	0.002602226	0.002249433	0.003845503	0	0	0	0	0	0
4[13C]-ATP	0.000368201	0.002545706	0.001166336	0.003976844	0.004852539	0.004218387	0	0	0	0	0	0
5[13C]-ATP	0.024536489	0.022959786	0.024515059	0.060592523	0.05949123	0.064561533	0.068117586	0.010033104	0.011707125	0.002369023	0.001488805	0.002279763
6[13C]-ATP	0	2.52106E-05	0	0.000150705	0.000890152	0.001191602	0	0	0	0	0	0
7[13C]-ATP	0	0.000206182	0	0.000597792	0.001019897	0.000636376	0	0	0	0	0	0
8[13C]-ATP	0	0	0	0	0	0.000228469	0	0	0	0	0	0
9[13C]-ATP	0	0	0	0	0	0	0	0	0	0	0	0
10[13C]-ATP	0	0	0	0	0	0	0	0	0	0	0	0
AMP	0.967250824	0.962314649	0.965369381	0.91629799	0.921388255	0.919105826	0.986429789	0.983867354	0.983551509	0.988539804	0.987622859	0.988084992
1[13C]AMP	0	0	0	0	0	0	0	0	0	0	0	0
2[13C]AMP	0.010256311	0.008780778	0.008237622	0.01479948	0.01233538	0.016306578	0.012813978	0.012468368	0.012340665	0.010772442	0.010406184	0.010446109
3[13C]AMP	0.000125157	0	0	0.000524296	0.004084494	0.000903243	0	0.000271344	0.000182757	0.000687754	9.14041E-05	0.00021978
4[13C]AMP	0	0.001140457	0	0	0.000876479	0	0	0	0	0	0	0
5[13C]AMP	0.022367708	0.027764117	0.026392997	0.068378234	0.061315393	0.063684353	0.000756233	0.003392935	0.003925069	0	0.001438627	0.001249119
6[13C]AMP	0	0	0	0	0	0	0	0	0	0	0	0
7[13C]AMP	0	0	0	0	0	0	0	0	0	0	0.000440926	0
8[13C]AMP	0	0	0	0	0	0	0	0	0	0	0	0
9[13C]AMP	0	0	0	0	0	0	0	0	0	0	0	0
10[13C]AMP	0	0	0	0	0	0	0	0	0	0	0	0
UMP	0.874527313	0.831450082	0.817146821	0.822719194	0.818949396	0.828717652	0.657240092	0.735802466	0.657396222	0.862302186	0.955491203	0.93506037
1[13C]-UMP	0.007973949	0.002818408	0	0	0.001097493	0.002753779	0	0	0	0	0	0
2[13C]-UMP	0.081696527	0.128963582	0.12214105	0.096203116	0.084193996	0.070487869	0.315376318	0.243465648	0.31722109	0.12512637	0.03929538	0.054761032
3[13C]-UMP	0	0	0	0	0	0	0	0.004158773	0.000758876	0	0	0
4[13C]-UMP	0	0	0.002751327	0.000291646	0	0.004342596	0.005883078	0.001789761	0.006711101	0.002383327	0.000160176	0.00036194
5[13C]-UMP	0.031938931	0.019220201	0.041725642	0.057701899	0.063189333	0.061689236	0.005472223	0.002769221	0.006179379	0.002626593	0.000847235	0.002206006
6[13C]-UMP	0.000239942	0	0	0	0	0	0.000220548	0	0.003670726	0	0	0
7[13C]-UMP	0	0.009168689	0	0.004920464	0.007038737	0.00855687	0	0.000481157	0	0.005219562	0	0.001357195
8[13C]-UMP	0.003623338	0.008379038	0.016235161	0.018163681	0.025531045	0.023451997	0.015807741	0.011532974	0.008062605	0.002341962	0.004206006	0.006253457
9[13C]-UMP	0	0	0	0	0	0	0	0	0	0	0	0
CTP	0.949097256	0.969051904	0.932428401	0.925071169	0.925371088	0.911669861	0.911880222	0.98193484	0.988718421	0.979621573	0.963678324	0.973897198
1[13C]CTP	0	0	0	0	0	0	0	0	0	0	0	0
2[13C]CTP	0	0.017652954	0.008558586	0.011630242	0.010017804	0.013560217	0	0.005878868	0.011281579	0.009916192	0.02966906	0.020438146
3[13C]CTP	0.050902744	0.013295141	0.059013012	0.059764117	0.064611108	0.071527994	0.088119778	0.009122789	0	0.010462235	0.006652616	0.005664657
4[13C]CTP	0	0	0	0.000297823	0	0.000815174	0	0	0	0	0	0
5[13C]CTP	0	0	0	0.003236649	0	0	0	0	0	0	0	0
6[13C]CTP	0	0	0	0	0	0	0	0	0	0	0	0
7[13C]CTP	0	0	0	0	0	0	0	0.003063504	0	0	0	0
8[13C]CTP	0	0	0	0	0	0.002426754	0	0	0	0	0	0
9[13C]CTP	0	0	0	0	0	0	0	0	0	0	0	0
UTP	0.941629744	0.944245773	0.946881012	0.876313036	0.878280237	0.869478674	1	0.975297238	0.972235329	0.967133871	0.970021033	0.970895814
1[13C]UTP	0.010305618	0.003723167	0.004244034	0.008692651	0.006358643	0.010595068	0	0.002351086	0.004807867	0.006433841	0.002194954	0.001977142
2[13C]UTP	0.029229406	0.028321452	0.025195048	0.030535904	0.027280088	0.027289939	0	0.022351676	0.022956804	0.026432288	0.027784012	0.027127044
3[13C]UTP	0	0	0	0.002146117	0.002380339	0.003691867	0	0	0	0	0	0
4[13C]UTP	0	0	0.001082685	0.002989807	0.003627048	0.004824044	0	0	0	0	0	0
5[13C]UTP	0.0178704	0.01936294	0.01908396	0.059784837	0.060484288	0.062332332	0	0	0	0	0	0
6[13C]UTP	0	0.00212306	0	0.007906892	0.009351195	0.009076202	0	0	0	0	0	0
7[13C]UTP	0.000964833	0.002223609	0.003050204	0.010162374	0.011110446	0.011286847	0	0	0	0	0	0
8[13C]UTP	0	0	0.000463056	0.001468382	0.001127716	0.001425027	0	0	0	0	0	0
9[13C]UTP	0	0	0	0	0	0	0	0	0	0	0	0
citrate/isocitrate	0.198732739	0.194392736	0.193360057	0.197154701	0.175675948	0.191457292	0.380073472	0.424441801	0.422619044	0.259331606	0.257977666	0.258331913
1[13C]citrate/isocitrate	0.049284109	0.04714232	0.047608197	0.032229913	0.031146578	0.029920197	0.05144188	0.055647146	0.056520636	0.04565906	0.044609287	0.045938739
2[13C]citrate/isocitrate	0.354531758	0.357046407	0.354940922	0.39419499	0.403918724	0.402369922	0.323684663	0.311891649	0.311928625	0.388195192	0.388278414	0.388447136
3[13C]citrate/isocitrate	0.1056545	0.106643694	0.105356468	0.082689758	0.079278528	0.080488666	0.078377129	0.076454144	0.07748813	0.091731815	0.093654043	0.094152672
4[13C]citrate/isocitrate	0.17440032	0.174444308	0.175927092	0.179611168	0.187616519	0.18110107	0.107417968	0.086764173	0.08925168	0.135192326	0.136384493	0.134587851
5[13C]citrate/isocitrate	0.09498924	0.097283991	0.09853595	0.092664622	0.098655892	0.093597533	0.048933487	0.037792774	0.035850352	0.066635637	0.065540589	0.065303206
6[13C]citrate/isocitrate	0.022407334	0.023046543	0.024271315	0.021454849	0.023707811	0.02106532	0.0100714	0.007008313	0.006341533	0.013254364	0.013555508	0.013238483
cis-aconitate	0.335696674	0.323300087	0.315308367	0.502397886	0.393843843	0.380566444	0.673597784	0.751072899	0.688433112	0.353794327	0.362479425	0.362168418
1[13C]cis-aconitate	0.037480455	0.031158379	0.032765686	0.012175458	0.013835134	0.015625956	0.038341334	0.028040318	0.042637787	0.037058722	0.045457827	0.044361415
2[13C]cis-aconitate	0.303101052	0.309426674	0.311939418	0.253859668	0.312741606	0.316951626	0.189717265	0.145061681	0.169477367	0.354024157	0.346655505	0.338420619
3[13C]cis-aconitate	0.102233202	0.102415687	0.102619853	0.057784804	0.069987764	0.0710325	0.050126628	0.037301226	0.047762977	0.085471757	0.086673753	0.086676089
4[13C]cis-aconitate	0.1530414	0.151431514	0.157134198	0.119729365	0.139992857	0.142095836	0.040881593	0.028618733	0.038697297	0.11025873	0.107838371	0.111961203
5[13C]cis-aconitate	0.066720757	0.074235297	0.072582407	0.05055387	0.067763647	0.065487264	0.007335397	0.009905143	0.012315021	0.052691496	0.044073623	0.048785069
6[13C]cis-aconitate	0.00172646	0.008032363	0.007650071	0.003498949	0.001835149	0.008240374	0	0	0.000676439	0.006700811	0.006821495	0.007627187
2-oxoglutarate	0.507098569	0.514033564	0.506448659	0.524960121	0.527689328	0.518765801	0.598401951	0.597992557	0.579273701	0.488267912	0.481525172	0.493903257
1[13C]2-oxoglutarate	0.026126124	0.027792541	0.009614954	0.017374318	0.019606399	0.018416259	0.043592242	0.040267138	0.054569396	0.042429487	0.044849362	0.040430086
2[13C]2-oxoglutarate	0.234165318	0.248695782	0.261626376	0.268384564	0.26477473	0.263821025	0.257412449	0.250342547	0.24982271	0.289490734	0.292037079	0.287976757
3[13C]2-oxoglutarate	0.090589591	0.085716108	0.076563537	0.071117348	0.066109189	0.075263915	0.053103887	0.051639484	0.058075498	0.084574321	0.076733627	0.075983606
4[13C]2-oxoglutarate	0.099163468	0.092443306	0.106906292	0.091918759	0.097213434	0.094933035	0.039254252	0.047656906	0.04416646	0.072088453	0.080077456	0.076269023
5[13C]2-oxoglutarate	0.04285693	0.0313187	0.038840182	0.02624489	0.024606919	0.028799965	0.00823522	0.012101368	0.014092235	0.023149093	0.024777304	0.025437271
succinate	0.491041904	0.496415511	0.490505985	0.530676729	0.537565639	0.539326055	0.66585395	0.697922554	0.666436685	0.538975879	0.53190953	0.536531001
1[13C]succinate	0.05519573	0.054426156	0.053726719	0.032479765	0.030507801	0.031597399	0.068276106	0.062155162	0.06848202	0.065850815	0.066906356	0.065962811
2[13C]succinate	0.2389415	0.23572552	0.240600962	0.251643692	0.248617262	0.245583668	0.180799841	0.163193561	0.179809031	0.249237486	0.250526632	0.247326496
3[13C]succinate	0.15808082	0.157754331	0.159252832	0.136404291	0.136209194	0.135298666	0.063087623	0.057013261	0.063672252	0.106688313	0.108708533	0.108831494
4[13C]succinate	0.056740046	0.055678481	0.055913503	0.048795523	0.047100104	0.048194211	0.02198248	0.019715463	0.021600013	0.039247507	0.041948948	0.041348199
Fumarate	0.536211363	0.539045749	0.544612641	0.595974845	0.585753621	0.594108687	0.727628085	0.739141536	0.723780917	0.623556515	0.621384673	0.617279492
1[13C]Fumarate	0.06755731	0.065978868	0.061611387	0.040611827	0.037699597	0.039326682	0.053078869	0.050238426	0.048683506	0.053886585	0.055758602	0.058240713
2[13C]Fumarate	0.254512678	0.24922118	0.251700259	0.24331298	0.254475068	0.244591526	0.154123996	0.145487687	0.154428844	0.213212694	0.210692241	0.214119184
3[13C]Fumarate	0.141718649	0.145754203	0.142075713	0.120100348	0.122071714	0.121973105	0.06516905	0.065132352	0.073106734	0.109344205	0.112164484	0.110360611
4[13C]Fumarate	0	0	0	0	0	0	0	0	0	0	0	0
Malate	0.514804915	0.510364666	0.511246213	0.56976341	0.565376247	0.571846963	0.684986436	0.708206123	0.677095614	0.578895565	0.577617529	0.571649087
1[13C]Malate	0.060900046	0.061851561	0.059450983	0.04021133	0.03935848	0.038342386	0.05377429	0.053112636	0.0614347	0.062142985	0.059010276	0.061380908
2[13C]Malate	0.240674319	0.243516228	0.243766296	0.234134614	0.237421613	0.236399682	0.168382037	0.153739441	0.167994551	0.215813454	0.216801629	0.218879246
3[13C]Malate	0.142821271	0.143675679	0.145016236	0.122900164	0.124453847	0.121831561	0.073924633	0.068724129	0.07580147	0.116159286	0.11844052	0.11890229
4[13C]Malate	0.04079945	0.040591865	0.040520272	0.032990482	0.033389813	0.031579408	0.018932603	0.016217671	0.017673666	0.02698871	0.028130047	0.029188469
L-glutamate	0.447599921	0.441435816	0.441661723	0.503767837	0.502291817	0.509832607	0.570566304	0.571804864	0.566524735	0.461639992	0.459234878	0.463614978
1[13C]L-glutamate	0.037342119	0.037683096	0.036970189	0.022065419	0.020806531	0.021225295	0.053598882	0.052359272	0.054226244	0.046421063	0.045741654	0.045246688
2[13C]L-glutamate	0.263214611	0.268456425	0.264216566	0.270676816	0.274085939	0.269251458	0.253227042	0.252360037	0.255138505	0.307327776	0.306464175	0.30566387
3[13C]L-glutamate	0.099929151	0.101260481	0.102623847	0.077757679	0.076721998	0.075771306	0.061543821	0.061721906	0.062480464	0.08186181	0.081722201	0.08100838
4[13C]L-glutamate	0.115528544	0.115474753	0.117160117	0.096329287	0.096822216	0.094770114	0.047388747	0.047596327	0.048043843	0.077212651	0.07983601	0.078430421
5[13C]L-glutamate	0.036385654	0.035689428	0.037367557	0.029402962	0.029271499	0.029149219	0.013675203	0.014157595	0.013586208	0.025536707	0.027001081	0.026035663
D-glucose	0.124986614	0.113472755	0.101555068	0.087974507	0.0924176	0.137507122	0.030193637	0.034675885	0.048167766	0.090447126	0.112877466	0.267970784
1[13C]D-glucose	0	0	0	0	0	0	0	0	0	0	0	0
2[13C]D-glucose	0	0.001054871	0	0	0	0	0.000580825	0.000724548	0.000420512	0.002920853	0.000171721	0
3[13C]D-glucose	0	0	0	0	0	0	0	0	0	0	0	0
4[13C]D-glucose	0	0	0	0	0	0	0.001274787	0.000882807	0.001149004	0.000568804	0.000402913	0.000231354
5[13C]D-glucose	0.047876588	0.051043891	0.054585481	0.056303313	0.050558954	0.046896589	0.062239314	0.059523442	0.058359234	0.05583266	0.052429661	0.044607096
6[13C]D-glucose	0.827136797	0.834428483	0.843859451	0.855722181	0.857023446	0.815596289	0.905711437	0.904193318	0.891903484	0.850230558	0.834118238	0.687190765
Hexose phosphate	0.299984748	0.29875398	0.320258106	0.326251533	0.317614032	0.328124336	0.22330149	0.243363941	0.248443438	0.162100397	0.16418586	0.157254043
1[13C]Hexose phosphate	0.00826012	0.007681765	0.007887288	0.003497779	0.001525958	0.002375257	0.008240804	0.01104564	0.010067465	0.009487631	0.010962903	0.008827553
2[13C]Hexose phosphate	0.017934172	0.018510792	0.015207947	0.009408233	0.005161639	0.009661321	0.015830525	0.013668659	0.016175346	0.015758263	0.016726782	0.015239126
3[13C]Hexose phosphate	0.111878683	0.103727501	0.094381367	0.086542626	0.069889625	0.083324054	0.122056147	0.125623172	0.122638175	0.13314791	0.1341728	0.131403239
4[13C]Hexose phosphate	0.02640926	0.026849206	0.022831872	0.016371137	0.014264656	0.016167096	0.046685067	0.049279616	0.053240453	0.057580083	0.058620572	0.05758641
5[13C]Hexose phosphate	0.05489664	0.056008095	0.050712516	0.044851207	0.045782894	0.046542967	0.067885636	0.066811078	0.064934872	0.074799566	0.075772491	0.074841199
6[13C]Hexose phosphate	0.480636377	0.488468662	0.488720904	0.513077485	0.545761196	0.513804969	0.516000331	0.490207894	0.48450025	0.54712615	0.539558592	0.55484843
Fructose-1,6-bisphosphate	0.2217257	0.233980718	0.219293116	0.228915127	0.214107664	0.226779808	0.206445246	0.202047311	0.192764137	0.083065291	0.077655523	0.073298164
1[13C]Fructose-1,6-bisphosphate	0	0	0	0	0	0	0	0	0	0.000563103	0.002674292	0
2[13C]Fructose-1,6-bisphosphate	0.024897018	0.014803489	0.025205317	0.007938434	0.011483448	0.011083807	0.004492645	0.005139534	0.003888039	0.00971601	0.009884886	0.011104786
3[13C]Fructose-1,6-bisphosphate	0.036227524	0.048583731	0.04873985	0.051848848	0.043638352	0.050538724	0.088195337	0.098870485	0.102170074	0.142786727	0.15404661	0.150320402
4[13C]Fructose-1,6-bisphosphate	0.012880444	0.010109169	0.009527399	0.00808928	0.005515485	0.008260628	0.056543693	0.049207131	0.057471056	0.032407328	0.033856948	0.033849414
5[13C]Fructose-1,6-bisphosphate	0.082143576	0.078300498	0.068238526	0.049016183	0.05170955	0.050894887	0.030703465	0.058682664	0.059477012	0.070658748	0.071108699	0.069785297
6[13C]Fructose-1,6-bisphosphate	0.622125737	0.614222396	0.628995793	0.654192128	0.673545501	0.652442145	0.613619613	0.586052874	0.584229682	0.660802793	0.650773042	0.661641937
3PG/2PG	0.090571294	0.060877228	0.245193577	0.188937553	0.236070311	0.253182903	0.366972811	0.385925784	0.364314619	0.256525802	0.207037435	0.215942225
1[13C]3PG/2PG	0	0	0	0	0	0	0	0	0	0	0	0
2[13C]3PG/2PG	0	0	0	0	0	0	0	0	0	0.007358405	0	0.008392336
3[13C]3PG/2PG	0.909428706	0.939122772	0.754806423	0.811062447	0.763929689	0.746817097	0.633027189	0.614074216	0.635685381	0.736115792	0.792962565	0.775665439
pyruvate	0.68997463	0.653446296	0.690945613	0.498483533	0.500073603	0.486134666	0.595439008	0.627042002	0.631376078	0.431738103	0.559726495	0.582070115
1[13C]pyruvate	0.027125514	0.026773891	0.023710095	0.022496248	0.025656002	0.026637174	0.010329553	0.011813588	0.007885724	0.023423756	0.025036078	0.019663535
2[13C]pyruvate	0.04333767	0.040379817	0.042691574	0.045529748	0.044440618	0.045158863	0.018979132	0.020181602	0.017758309	0.036010606	0.035146585	0.034999012
3[13C]pyruvate	0.239562185	0.279399996	0.242652718	0.433490471	0.429829776	0.442069297	0.375252307	0.340962809	0.342979888	0.508827534	0.380090842	0.363267337
Lactate	0.292990561	0.292414074	0.286296215	0.188264611	0.195300641	0.190555311	0.231235761	0.246146978	0.221857919	0.113174123	0.116102155	0.119431611
1[13C]Lactate	0.018731487	0.018544848	0.017603197	0.0105957	0.010595653	0.010618209	0.015065907	0.014860624	0.015691697	0.016959594	0.01663615	0.015990483
2[13C]Lactate	0.045224668	0.044698955	0.043964426	0.039795886	0.038452901	0.038992446	0.038724075	0.037271615	0.038280415	0.045656713	0.044498983	0.04393822
3[13C]Lactate	0.643053284	0.644342123	0.652136162	0.761343803	0.755650805	0.759834033	0.714974256	0.701720783	0.724169969	0.824209569	0.822762712	0.820639686
Glycerol 3-phosphate	0.503364782	0.489418878	0.486836358	0.347425514	0.340680879	0.350539043	0.375982525	0.386810275	0.389029901	0.335389954	0.348476747	0.343025086
1[13C]Glycerol 3-phosphate	0.015547783	0.010793065	0.021299009	0.013648812	0.012164742	0.013988338	0.014402835	0.007100553	0.008007632	0.017281203	0.018891511	0.018940619
2[13C]Glycerol 3-phosphate	0.030326623	0.023299923	0.028043442	0.03267432	0.027602737	0.027159497	0.032196649	0.028558835	0.027272803	0.033390537	0.032860856	0.030722298
3[13C]Glycerol 3-phosphate	0.450760813	0.476488135	0.463821191	0.606251354	0.619551642	0.608313123	0.577417991	0.577530337	0.575689664	0.613938306	0.599770886	0.607311997
D-ribose-5-phosphate	0.68153642	0.661968725	0.607541145	0.44047796	0.465269805	0.387370308	0.797497324	0.799821418	0.77843397	0.526145448	0.498599346	0.536944435
1[13C]ribose-5-phosphate	0	0	0	0	0	0	0	0.002332225	0.008583454	0.00628263	0.004624051	0.004975336
2[13C]ribose-5-phosphate	0	0	0	0.008188137	0	0.014488646	0	0.002217516	0	0.024834369	0.028956796	0.023293129
3[13C]ribose-5-phosphate	0.018132656	0.012790902	0.011412781	0.04477474	0.033815849	0.064622211	0.04887826	0.041399711	0.043009879	0.18911336	0.186776394	0.177204977
4[13C]ribose-5-phosphate	0	0.011413761	0.033113457	0.015643655	0.011426405	0.015690994	0.014135156	0.017183983	0.022805001	0.032053964	0.031673094	0.029144295
5[13C]ribose-5-phosphate	0.300330924	0.313826613	0.347932617	0.490915508	0.489487942	0.517827842	0.139489261	0.137045147	0.147167696	0.221570229	0.249370319	0.228437828
Sedoheptulose 7-phosphate	0.526015306	0.537194048	0.575207679	0.660367128	0.680005677	0.654830175	0.673416782	0.681925512	0.659508602	0.487007636	0.479259892	0.485875216
1[13C]Sedoheptulose 7-phosphate	0.012588784	0.021376218	0.006283567	0.005253909	0	0	0.01599495	0.005555011	0.015239746	0.007131661	0.017239936	0.011905754
2[13C]Sedoheptulose 7-phosphate	0.020762667	0.006279211	0.019121889	0.006010891	0.010815789	0.010922111	0.025190559	0.021990572	0.025628933	0.02659522	0.031776623	0.02565742
3[13C]Sedoheptulose 7-phosphate	0.077634422	0.049654283	0.044408672	0.017158462	0.011769402	0.021914342	0.028565841	0.031118268	0.025460242	0.054491882	0.06262863	0.062556187
4[13C]Sedoheptulose 7-phosphate	0.072653192	0.063272343	0.058133801	0.031145552	0.027297798	0.033248519	0.048631762	0.05541946	0.059105151	0.077863294	0.078169298	0.070013488
5[13C]Sedoheptulose 7-phosphate	0.024851951	0.01483192	0.014518134	0.012346719	0.016848449	0.010026443	0.017617407	0.020115947	0.018941555	0.033669914	0.031775542	0.0383143
6[13C]Sedoheptulose 7-phosphate	0.019609591	0.041162193	0.033608738	0.027553478	0.013610283	0.029753548	0.031627738	0.030472197	0.029135503	0.064124592	0.054965734	0.061247199
7[13C]Sedoheptulose 7-phosphate	0.245884086	0.266229785	0.248717519	0.240163861	0.239652602	0.239304863	0.158954961	0.153403032	0.166980269	0.249115802	0.244184346	0.244430437
ornithine	1	1	1	1	1	1	1	1	1	1	0.999994653	1
1[13C]ornithine	0	0	0	0	0	0	0	0	0	0	5.34733E-06	0
2[13C]ornithine	0	0	0	0	0	0	0	0	0	0	0	0
3[13C]ornithine	0	0	0	0	0	0	0	0	0	0	0	0
4[13C]ornithine	0	0	0	0	0	0	0	0	0	0	0	0
5[13C]ornithine	0	0	0	0	0	0	0	0	0	0	0	0
asparagine	0.432845151	0.435694074	0.434760162	0.417271252	0.413542977	0.417246796	0.544481351	0.534727619	0.534908872	0.475848118	0.473492534	0.486242366
1[13C]asparagine	0.439772576	0.436951765	0.434332639	0.454271868	0.456970788	0.449937991	0.353069505	0.360805851	0.366240597	0.398968095	0.406854362	0.392217976
2[13C]asparagine	0.127382273	0.127354161	0.1309072	0.12845688	0.129486235	0.132815213	0.102449144	0.10446653	0.098850531	0.125183787	0.119653104	0.121539658
3[13C]asparagine	0	0	0	0	0	0	0	0	0	0	0	0
4[13C]asparagine	0	0	0	0	0	0	0	0	0	0	0	0
2-Ketobutyric acid/acetoacetate	0.645205745	0.685076883	0.660587928	0.70186994	0.693455248	0.720546704	0.668432094	0.690049771	0.668998825	0.624325317	0.594645505	0.62406645
2-Ketobutyric acid/acetoacetate-1	0.041434511	0.029461483	0.033687789	0.016726261	0.024813328	0.021054957	0.060778146	0.056663993	0.066037188	0.046084785	0.052340612	0.049787311
2-Ketobutyric acid/acetoacetate-2	0.164722267	0.150274891	0.157297555	0.164368356	0.160374682	0.149478128	0.186638372	0.172742331	0.185740787	0.208420256	0.224474817	0.204255683
2-Ketobutyric acid/acetoacetate-3	0.094549532	0.091338374	0.094997863	0.069120925	0.073800999	0.063881669	0.055635051	0.050917081	0.051611772	0.078025495	0.08758792	0.075795055
2-Ketobutyric acid/acetoacetate-4	0.054087946	0.043848368	0.053428865	0.047914518	0.047555743	0.045038542	0.028516337	0.029626824	0.027611428	0.043144147	0.040951145	0.046095501
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate	0.479804222	0.476784575	0.476059996	0.537273255	0.533621968	0.53987358	0.600675073	0.602701729	0.59636769	0.49484582	0.492788979	0.49359754
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-1	0.037022474	0.036068935	0.035066531	0.019582815	0.022276864	0.021043021	0.051243752	0.05178397	0.053171416	0.047528719	0.044306188	0.0455513
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-2	0.251919417	0.256398243	0.252945142	0.254920528	0.259296751	0.256229378	0.233138719	0.233115785	0.239365657	0.292339734	0.289578968	0.288960679
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-3	0.093960003	0.094464718	0.096396473	0.072734919	0.07026649	0.070323554	0.061145595	0.058077868	0.05659812	0.072391424	0.076002746	0.077772593
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-4	0.105238395	0.104233124	0.106013059	0.088871834	0.088093613	0.085779594	0.041282595	0.041749778	0.042628118	0.070020162	0.074508891	0.071065789
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-5	0.032055489	0.032050405	0.033518801	0.026616648	0.026444315	0.026750873	0.012514267	0.012570871	0.011868999	0.022874141	0.022814228	0.023052099
L-2-aminoadipate	0.976216012	0.977692469	0.974319104	0.968801746	0.969558129	0.967010497	0.998139079	1	0.998074215	0.998959672	0.999730423	1
L-2-aminoadipate-1	0	0	0.003417773	0.000319478	0	0	0	0	0	0	0	0
L-2-aminoadipate-2	0.023783988	0.021970003	0.022093917	0.03047691	0.030252244	0.032547001	5.79505E-06	0	0	0	0	0
L-2-aminoadipate-3	0	0	0	0	0	0	0	0	0	0	0	0
L-2-aminoadipate-4	0	0	0	0	0.000189627	0	0	0	0	0	0	0
L-2-aminoadipate-5	0	0.000337528	0.000169206	0.000401867	0	0.000442501	0.001855126	0	0.001925785	0.001040328	0.000269577	0
L-2-aminoadipate-6	0	0	0	0	0	0	0	0	0	0	0	0
N-acetyl-L-aspartate	0.977594362	0.978594478	0.976882052	0.978602807	0.980302602	0.979225825	0.984969309	0.986299146	0.982806998	0.973206456	0.976939891	0.975206405
N-acetyl-L-aspartate-1	0.001006577	0.001222322	0.001031024	0.001165681	0.002148063	0.001193901	0.002688594	0.000893657	0.003634638	0.003216333	0.002366685	0.002553502
N-acetyl-L-aspartate-2	0.014319322	0.013541361	0.015191675	0.014503447	0.012710367	0.01463831	0.009258941	0.009405183	0.009817958	0.017668712	0.015316203	0.016119712
N-acetyl-L-aspartate-3	0.001824304	0.001432666	0.00180282	0.001201236	0.000838313	0.001113684	0.001473962	0.001920994	0.001831676	0.002795488	0.002610293	0.003167498
N-acetyl-L-aspartate-4	0.005255435	0.005209172	0.00509243	0.004526829	0.004000654	0.00382828	0.001609194	0.001481021	0.00190873	0.003113011	0.002766927	0.002952883
N-acetyl-L-aspartate-5	0	0	0	0	0	0	0	0	0	0	0	0
N-acetyl-L-aspartate-6	0	0	0	0	0	0	0	0	0	0	0	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Chemical Formula	HMDB	PubChem	KEGG	HMDB	PubChem	KEGG
Aspartate	C4H7NO4	HMDB00191	5960	C00049
1[13C]Aspartate	C4H7NO4	HMDB00191	5960	C00049
2[13C]Aspartate	C4H7NO4	HMDB00191	5960	C00049
3[13C]Aspartate	C4H7NO4	HMDB00191	5960	C00049
4[13C]Aspartate	C4H7NO4	HMDB00191	5960	C00049
N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
1[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
2[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
3[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
4[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
5[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
6[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
7[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
8[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
9[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
10[13C]N(omega)-(L-Arginino)succinate	C10H18N4O6	HMDB00052	16950	C03406
laurate	C12H24O2	HMDB00638	3893	C02679
1[13C]laurate	C12H24O2	HMDB00638	3893	C02679
2[13C]laurate	C12H24O2	HMDB00638	3893	C02679
3[13C]laurate	C12H24O2	HMDB00638	3893	C02679
4[13C]laurate	C12H24O2	HMDB00638	3893	C02679
5[13C]laurate	C12H24O2	HMDB00638	3893	C02679
6[13C]laurate	C12H24O2	HMDB00638	3893	C02679
7[13C]laurate	C12H24O2	HMDB00638	3893	C02679
8[13C]laurate	C12H24O2	HMDB00638	3893	C02679
9[13C]laurate	C12H24O2	HMDB00638	3893	C02679
10[13C]laurate	C12H24O2	HMDB00638	3893	C02679
11[13C]laurate	C12H24O2	HMDB00638	3893	C02679
12[13C]laurate	C12H24O2	HMDB00638	3893	C02679
myristate	C14H28O2	HMDB00806	11005	C06424
1[13C]myristate	C14H28O2	HMDB00806	11005	C06424
2[13C]myristate	C14H28O2	HMDB00806	11005	C06424
3[13C]myristate	C14H28O2	HMDB00806	11005	C06424
4[13C]myristate	C14H28O2	HMDB00806	11005	C06424
5[13C]myristate	C14H28O2	HMDB00806	11005	C06424
6[13C]myristate	C14H28O2	HMDB00806	11005	C06424
7[13C]myristate	C14H28O2	HMDB00806	11005	C06424
8[13C]myristate	C14H28O2	HMDB00806	11005	C06424
9[13C]myristate	C14H28O2	HMDB00806	11005	C06424
10[13C]myristate	C14H28O2	HMDB00806	11005	C06424
11[13C]myristate	C14H28O2	HMDB00806	11005	C06424
12[13C]myristate	C14H28O2	HMDB00806	11005	C06424
13[13C]myristate	C14H28O2	HMDB00806	11005	C06424
14[13C]myristate	C14H28O2	HMDB00806	11005	C06424
palmitate	C16H32O2	HMDB00220	985	C00249
1[13C]palmitate	C16H32O2	HMDB00220	985	C00249
2[13C]palmitate	C16H32O2	HMDB00220	985	C00249
3[13C]palmitate	C16H32O2	HMDB00220	985	C00249
4[13C]palmitate	C16H32O2	HMDB00220	985	C00249
5[13C]palmitate	C16H32O2	HMDB00220	985	C00249
6[13C]palmitate	C16H32O2	HMDB00220	985	C00249
7[13C]palmitate	C16H32O2	HMDB00220	985	C00249
8[13C]palmitate	C16H32O2	HMDB00220	985	C00249
9[13C]palmitate	C16H32O2	HMDB00220	985	C00249
10[13C]palmitate	C16H32O2	HMDB00220	985	C00249
11[13C]palmitate	C16H32O2	HMDB00220	985	C00249
12[13C]palmitate	C16H32O2	HMDB00220	985	C00249
13[13C]palmitate	C16H32O2	HMDB00220	985	C00249
14[13C]palmitate	C16H32O2	HMDB00220	985	C00249
15[13C]palmitate	C16H32O2	HMDB00220	985	C00249
16[13C]palmitate	C16H32O2	HMDB00220	985	C00249
UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
1[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
2[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
3[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
4[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
5[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
6[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
7[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
8[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
9[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
10[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
11[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
12[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
13[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
14[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
15[13C]UDP-D-glucuronate	C15H22N2O18P2	HMDB00935	17473	C00167
UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
1[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
2[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
3[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
4[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
5[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
6[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
7[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
8[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
9[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
10[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
11[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
12[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
13[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
14[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
15[13C]UDP-glucose	C15H24N2O17P2	HMDB00286	53477679	C00029
UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
1[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
2[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
3[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
4[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
5[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
6[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
7[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
8[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
9[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
10[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
11[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
12[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
13[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
14[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
15[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
16[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
17[13C]UDP-N-acetyl-alpha-D-glucosamine	C17H27N3O17P2	HMDB00290	445675	C00043
myo-inositol	C6H12O6	HMDB00211	NA	C00137
1[13C]myo-inositol	C6H12O6	HMDB00211	NA	C00137
2[13C]myo-inositol	C6H12O6	HMDB00211	NA	C00137
3[13C]myo-inositol	C6H12O6	HMDB00211	NA	C00137
4[13C]myo-inositol	C6H12O6	HMDB00211	NA	C00137
5[13C]myo-inositol	C6H12O6	HMDB00211	NA	C00137
6[13C]myo-inositol	C6H12O6	HMDB00211	NA	C00137
ATP	C10H16N5O13P3	HMDB00538	5957	C00002
1[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
2[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
3[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
4[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
5[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
6[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
7[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
8[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
9[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
10[13C]-ATP	C10H16N5O13P3	HMDB00538	5957	C00002
AMP	C10H14N5O7P	HMDB00045	6083	C00020
1[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
2[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
3[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
4[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
5[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
6[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
7[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
8[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
9[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
10[13C]AMP	C10H14N5O7P	HMDB00045	6083	C00020
UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
1[13C]-UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
2[13C]-UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
3[13C]-UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
4[13C]-UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
5[13C]-UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
6[13C]-UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
7[13C]-UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
8[13C]-UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
9[13C]-UMP	C9H13N2O9P	HMDB00288	6030	C00105	METPA0176	NA	C01368
CTP	C9H16N3O14P3	HMDB00082	6176	C00063
1[13C]CTP	C9H16N3O14P3	HMDB00082	6176	C00063
2[13C]CTP	C9H16N3O14P3	HMDB00082	6176	C00063
3[13C]CTP	C9H16N3O14P3	HMDB00082	6176	C00063
4[13C]CTP	C9H16N3O14P3	HMDB00082	6176	C00063
5[13C]CTP	C9H16N3O14P3	HMDB00082	6176	C00063
6[13C]CTP	C9H16N3O14P3	HMDB00082	6176	C00063
7[13C]CTP	C9H16N3O14P3	HMDB00082	6176	C00063
8[13C]CTP	C9H16N3O14P3	HMDB00082	6176	C00063
9[13C]CTP	C9H16N3O14P3	HMDB00082	6176	C00063
UTP	C9H15N2O15P3	HMDB00285	6133	C00075
1[13C]UTP	C9H15N2O15P3	HMDB00285	6133	C00075
2[13C]UTP	C9H15N2O15P3	HMDB00285	6133	C00075
3[13C]UTP	C9H15N2O15P3	HMDB00285	6133	C00075
4[13C]UTP	C9H15N2O15P3	HMDB00285	6133	C00075
5[13C]UTP	C9H15N2O15P3	HMDB00285	6133	C00075
6[13C]UTP	C9H15N2O15P3	HMDB00285	6133	C00075
7[13C]UTP	C9H15N2O15P3	HMDB00285	6133	C00075
8[13C]UTP	C9H15N2O15P3	HMDB00285	6133	C00075
9[13C]UTP	C9H15N2O15P3	HMDB00285	6133	C00075
citrate/isocitrate	C6H8O7	HMDB00094	311	C00158	HMDB00193	1198	C00311
1[13C]citrate/isocitrate	C6H8O7	HMDB00094	311	C00158	HMDB00193	1198	C00311
2[13C]citrate/isocitrate	C6H8O7	HMDB00094	311	C00158	HMDB00193	1198	C00311
3[13C]citrate/isocitrate	C6H8O7	HMDB00094	311	C00158	HMDB00193	1198	C00311
4[13C]citrate/isocitrate	C6H8O7	HMDB00094	311	C00158	HMDB00193	1198	C00311
5[13C]citrate/isocitrate	C6H8O7	HMDB00094	311	C00158	HMDB00193	1198	C00311
6[13C]citrate/isocitrate	C6H8O7	HMDB00094	311	C00158	HMDB00193	1198	C00311
cis-aconitate	C6H6O6	HMDB00072	643757	C00417
1[13C]cis-aconitate	C6H6O6	HMDB00072	643757	C00417
2[13C]cis-aconitate	C6H6O6	HMDB00072	643757	C00417
3[13C]cis-aconitate	C6H6O6	HMDB00072	643757	C00417
4[13C]cis-aconitate	C6H6O6	HMDB00072	643757	C00417
5[13C]cis-aconitate	C6H6O6	HMDB00072	643757	C00417
6[13C]cis-aconitate	C6H6O6	HMDB00072	643757	C00417
2-oxoglutarate	C5H6O5	HMDB00208	51	C00026
1[13C]2-oxoglutarate	C5H6O5	HMDB00208	51	C00026
2[13C]2-oxoglutarate	C5H6O5	HMDB00208	51	C00026
3[13C]2-oxoglutarate	C5H6O5	HMDB00208	51	C00026
4[13C]2-oxoglutarate	C5H6O5	HMDB00208	51	C00026
5[13C]2-oxoglutarate	C5H6O5	HMDB00208	51	C00026
succinate	C4H6O4	HMDB00254	1110	C00042
1[13C]succinate	C4H6O4	HMDB00254	1110	C00042
2[13C]succinate	C4H6O4	HMDB00254	1110	C00042
3[13C]succinate	C4H6O4	HMDB00254	1110	C00042
4[13C]succinate	C4H6O4	HMDB00254	1110	C00042
Fumarate	C4H4O4	HMDB00134	444972	C00122
1[13C]Fumarate	C4H4O4	HMDB00134	444972	C00122
2[13C]Fumarate	C4H4O4	HMDB00134	444972	C00122
3[13C]Fumarate	C4H4O4	HMDB00134	444972	C00122
4[13C]Fumarate	C4H4O4	HMDB00134	444972	C00122
Malate	C4H6O5	HMDB00156	222656	C00149
1[13C]Malate	C4H6O5	HMDB00156	222656	C00149
2[13C]Malate	C4H6O5	HMDB00156	222656	C00149
3[13C]Malate	C4H6O5	HMDB00156	222656	C00149
4[13C]Malate	C4H6O5	HMDB00156	222656	C00149
L-glutamate	C5H9NO4	HMDB00148	33032	C00025
1[13C]L-glutamate	C5H9NO4	HMDB00148	33032	C00025
2[13C]L-glutamate	C5H9NO4	HMDB00148	33032	C00025
3[13C]L-glutamate	C5H9NO4	HMDB00148	33032	C00025
4[13C]L-glutamate	C5H9NO4	HMDB00148	33032	C00025
5[13C]L-glutamate	C5H9NO4	HMDB00148	33032	C00025
D-glucose	C6H12O6	HMDB03345	79025	C00267
1[13C]D-glucose	C6H12O6	HMDB03345	79025	C00267
2[13C]D-glucose	C6H12O6	HMDB03345	79025	C00267
3[13C]D-glucose	C6H12O6	HMDB03345	79025	C00267
4[13C]D-glucose	C6H12O6	HMDB03345	79025	C00267
5[13C]D-glucose	C6H12O6	HMDB03345	79025	C00267
6[13C]D-glucose	C6H12O6	HMDB03345	79025	C00267
Hexose phosphate	C6H13O9P	HMDB0001586	439165	C00103                      	HMDB0001076	10400369	C01094
1[13C]Hexose phosphate	C6H13O9P	HMDB0001586	439165	C00103                      	HMDB0001076	10400369	C01094
2[13C]Hexose phosphate	C6H13O9P	HMDB0001586	439165	C00103                      	HMDB0001076	10400369	C01094
3[13C]Hexose phosphate	C6H13O9P	HMDB0001586	439165	C00103                      	HMDB0001076	10400369	C01094
4[13C]Hexose phosphate	C6H13O9P	HMDB0001586	439165	C00103                      	HMDB0001076	10400369	C01094
5[13C]Hexose phosphate	C6H13O9P	HMDB0001586	439165	C00103                      	HMDB0001076	10400369	C01094
6[13C]Hexose phosphate	C6H13O9P	HMDB0001586	439165	C00103                      	HMDB0001076	10400369	C01094
Fructose-1,6-bisphosphate	C6H14O12P2	HMDB60444	10267	C05378
1[13C]Fructose-1,6-bisphosphate	C6H14O12P2	HMDB60444	10267	C05378
2[13C]Fructose-1,6-bisphosphate	C6H14O12P2	HMDB60444	10267	C05378
3[13C]Fructose-1,6-bisphosphate	C6H14O12P2	HMDB60444	10267	C05378
4[13C]Fructose-1,6-bisphosphate	C6H14O12P2	HMDB60444	10267	C05378
5[13C]Fructose-1,6-bisphosphate	C6H14O12P2	HMDB60444	10267	C05378
6[13C]Fructose-1,6-bisphosphate	C6H14O12P2	HMDB60444	10267	C05378
3PG/2PG	C3H7O6P	HMDB0001112	439168	C00118                      	HMDB0060180	439278	C00631
1[13C]3PG/2PG	C3H7O6P	HMDB0001112	439168	C00118                      	HMDB0060180	439278	C00631
2[13C]3PG/2PG	C3H7O6P	HMDB0001112	439168	C00118                      	HMDB0060180	439278	C00631
3[13C]3PG/2PG	C3H7O6P	HMDB0001112	439168	C00118                      	HMDB0060180	439278	C00631
pyruvate	C3H4O3	HMDB00243	1060	C00022
1[13C]pyruvate	C3H4O3	HMDB00243	1060	C00022
2[13C]pyruvate	C3H4O3	HMDB00243	1060	C00022
3[13C]pyruvate	C3H4O3	HMDB00243	1060	C00022
Lactate	C3H6O3	HMDB00190	107689	C00186
1[13C]Lactate	C3H6O3	HMDB00190	107689	C00186
2[13C]Lactate	C3H6O3	HMDB00190	107689	C00186
3[13C]Lactate	C3H6O3	HMDB00190	107689	C00186
Glycerol 3-phosphate	C3H9O6P	HMDB00126	439162	C00093
1[13C]Glycerol 3-phosphate	C3H9O6P	HMDB00126	439162	C00093
2[13C]Glycerol 3-phosphate	C3H9O6P	HMDB00126	439162	C00093
3[13C]Glycerol 3-phosphate	C3H9O6P	HMDB00126	439162	C00093
D-ribose-5-phosphate	C5H11O8P	HMDB01548	3417	C00117
1[13C]ribose-5-phosphate	C5H11O8P	HMDB01548	3417	C00117
2[13C]ribose-5-phosphate	C5H11O8P	HMDB01548	3417	C00117
3[13C]ribose-5-phosphate	C5H11O8P	HMDB01548	3417	C00117
4[13C]ribose-5-phosphate	C5H11O8P	HMDB01548	3417	C00117
5[13C]ribose-5-phosphate	C5H11O8P	HMDB01548	3417	C00117
Sedoheptulose 7-phosphate	C7H15O10P	METPA0585	NA	C05382
1[13C]Sedoheptulose 7-phosphate	C7H15O10P	METPA0585	NA	C05382
2[13C]Sedoheptulose 7-phosphate	C7H15O10P	METPA0585	NA	C05382
3[13C]Sedoheptulose 7-phosphate	C7H15O10P	METPA0585	NA	C05382
4[13C]Sedoheptulose 7-phosphate	C7H15O10P	METPA0585	NA	C05382
5[13C]Sedoheptulose 7-phosphate	C7H15O10P	METPA0585	NA	C05382
6[13C]Sedoheptulose 7-phosphate	C7H15O10P	METPA0585	NA	C05382
7[13C]Sedoheptulose 7-phosphate	C7H15O10P	METPA0585	NA	C05382
ornithine	C5H12N2O2	HMDB00214	6262	C00077
1[13C]ornithine	C5H12N2O2	HMDB00214	6262	C00077
2[13C]ornithine	C5H12N2O2	HMDB00214	6262	C00077
3[13C]ornithine	C5H12N2O2	HMDB00214	6262	C00077
4[13C]ornithine	C5H12N2O2	HMDB00214	6262	C00077
5[13C]ornithine	C5H12N2O2	HMDB00214	6262	C00077
asparagine	C4H8N2O3	HMDB00168	6267	C00152
1[13C]asparagine	C4H8N2O3	HMDB00168	6267	C00152
2[13C]asparagine	C4H8N2O3	HMDB00168	6267	C00152
3[13C]asparagine	C4H8N2O3	HMDB00168	6267	C00152
4[13C]asparagine	C4H8N2O3	HMDB00168	6267	C00152
2-Ketobutyric acid/acetoacetate	C4H6O3	HMDB00005	58	C00109	HMDB0000060	6971017	C00164
2-Ketobutyric acid/acetoacetate-1	C4H6O3	HMDB00005	58	C00109	HMDB0000060	6971017	C00164
2-Ketobutyric acid/acetoacetate-2	C4H6O3	HMDB00005	58	C00109	HMDB0000060	6971017	C00164
2-Ketobutyric acid/acetoacetate-3	C4H6O3	HMDB00005	58	C00109	HMDB0000060	6971017	C00164
2-Ketobutyric acid/acetoacetate-4	C4H6O3	HMDB00005	58	C00109	HMDB0000060	6971017	C00164
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate	C5H7NO3	HMDB00267	4992	C01879	HMDB01369	1059	C04281
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-1	C5H7NO3	HMDB00267	4992	C01879	HMDB01369	1059	C04281
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-2	C5H7NO3	HMDB00267	4992	C01879	HMDB01369	1059	C04281
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-3	C5H7NO3	HMDB00267	4992	C01879	HMDB01369	1059	C04281
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-4	C5H7NO3	HMDB00267	4992	C01879	HMDB01369	1059	C04281
5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate-5	C5H7NO3	HMDB00267	4992	C01879	HMDB01369	1059	C04281
L-2-aminoadipate	C6H11NO4	HMDB00510	469	C00956
L-2-aminoadipate-1	C6H11NO4	HMDB00510	469	C00956
L-2-aminoadipate-2	C6H11NO4	HMDB00510	469	C00956
L-2-aminoadipate-3	C6H11NO4	HMDB00510	469	C00956
L-2-aminoadipate-4	C6H11NO4	HMDB00510	469	C00956
L-2-aminoadipate-5	C6H11NO4	HMDB00510	469	C00956
L-2-aminoadipate-6	C6H11NO4	HMDB00510	469	C00956
N-acetyl-L-aspartate	C6H9NO5	HMDB00812	65065	C01042
N-acetyl-L-aspartate-1	C6H9NO5	HMDB00812	65065	C01042
N-acetyl-L-aspartate-2	C6H9NO5	HMDB00812	65065	C01042
N-acetyl-L-aspartate-3	C6H9NO5	HMDB00812	65065	C01042
N-acetyl-L-aspartate-4	C6H9NO5	HMDB00812	65065	C01042
N-acetyl-L-aspartate-5	C6H9NO5	HMDB00812	65065	C01042
N-acetyl-L-aspartate-6	C6H9NO5	HMDB00812	65065	C01042
METABOLITES_END
#END