#METABOLOMICS WORKBENCH araskind_20150612_9942771_mwtab.txt DATATRACK_ID:322 kenanazam_20160105_154950 STUDY_ID:ST000308 ANALYSIS_ID:AN000488 PROJECT_ID:PR000223
VERSION             	1
CREATED_ON             	January 5, 2016, 3:49 pm
#PROJECT
PR:PROJECT_TITLE                 	Leukemia stem cells studies
PR:PROJECT_TYPE                  	Glycolysis/TCA/Nucleotide analysis (tissue/cells)
PR:PROJECT_SUMMARY               	Define the function of AMPK metabolic sensor in leukemia stem cells
PR:INSTITUTE                     	Baylor College of Medicine
PR:DEPARTMENT                    	Molecular and Human genetics
PR:LABORATORY                    	Nakada Lab
PR:LAST_NAME                     	Nakada
PR:FIRST_NAME                    	Daisuke
PR:ADDRESS                       	Houston, TX
PR:EMAIL                         	nakada@bcm.edu
PR:PHONE                         	713-798-1175
#STUDY
ST:STUDY_TITLE                   	13C mass isotopomer analysis (LCMS flux studies) MLL-AF9 (part I)
ST:STUDY_TYPE                    	1,2-13C2 Flux analysis
ST:STUDY_SUMMARY                 	"How cancer cells adapt to metabolically adverse conditions in patients and
ST:STUDY_SUMMARY                 	strive to proliferate is a fundamental question in cancer biology. Here we show
ST:STUDY_SUMMARY                 	that AMP-activated protein kinase (AMPK), a metabolic checkpoint kinase, confers
ST:STUDY_SUMMARY                 	metabolic stress resistance to leukemia-initiating cells (LICs) and promotes
ST:STUDY_SUMMARY                 	leukemogenesis. Upon dietary restriction, MLL-AF9-induced murine acute myeloid
ST:STUDY_SUMMARY                 	leukemia (AML) activated AMPK and maintained leukemogenic potential. AMPK
ST:STUDY_SUMMARY                 	deletion significantly delayed leukemogenesis and depleted LICs by reducing the
ST:STUDY_SUMMARY                 	expression of glucose transporter 1 (Glut1), compromising glucose flux, and
ST:STUDY_SUMMARY                 	increasing oxidative stress and DNA damage. LICs were particularly dependent on
ST:STUDY_SUMMARY                 	AMPK to suppress oxidative stress in the hypoglycemic bone marrow environment.
ST:STUDY_SUMMARY                 	Strikingly, AMPK inhibition synergized with physiological metabolic stress
ST:STUDY_SUMMARY                 	caused by dietary restriction and profoundly suppressed leukemogenesis. Our
ST:STUDY_SUMMARY                 	results indicate that AMPK protects LICs from metabolic stress and that
ST:STUDY_SUMMARY                 	combining AMPK inhibition with physiological metabolic stress potently
ST:STUDY_SUMMARY                 	suppresses AML by inducing oxidative stress and DNA damage. Research is
ST:STUDY_SUMMARY                 	published: http://www.sciencedirect.com/science/article/pii/S1934590915003744 "
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Molecular and Human genetics (Baylor College of Medicine)
ST:LABORATORY                    	Nakada Lab (Baylor College of Medicine)
ST:LAST_NAME                     	Saitoh
ST:FIRST_NAME                    	Yusuke
ST:ADDRESS                       	Houston, TX
ST:EMAIL                         	Yusuke.Saitoh@bcm.edu
ST:PHONE                         	713-798-1175
ST:NUM_GROUPS                    	7
ST:TOTAL_SUBJECTS                	18
ST:STUDY_COMMENTS                	1. Collect leukemia cells from MLL-AF9 leukemia mouse bone marrow. 2. Leukemia
ST:STUDY_COMMENTS                	cell were cultured in RPMI1640 medium for 16hr. 3. Cell pellets were resuspend
ST:STUDY_COMMENTS                	in pre-warmed labeling medium containing 1,2-13C2-glucose(2g/L) and incubated
ST:STUDY_COMMENTS                	for 5min (sample 5) or 60min(sample 60).
ST:PUBLICATIONS                  	http://www.sciencedirect.com/science/article/pii/S1934590915003744
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014926	Timepoint:0 | Type:WT | Treatment:no	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014927	Timepoint:5 | Type:WT | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014928	Timepoint:60 | Type:WT | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014929	Timepoint:0 | Type:WT | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014930	Timepoint:5 | Type:WT | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014931	Timepoint:60 | Type:WT | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014932	Timepoint:0 | Type:WT | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014933	Timepoint:5 | Type:WT | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014934	Timepoint:60 | Type:WT | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014935	Timepoint:0 | Type:KO | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014936	Timepoint:5 | Type:KO | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014937	Timepoint:60 | Type:KO | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014938	Timepoint:0 | Type:KO | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014939	Timepoint:5 | Type:KO | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014940	Timepoint:60 | Type:KO | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014941	Timepoint:0 | Type:KO | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014942	Timepoint:5 | Type:KO | Treatment:yes	
SUBJECT_SAMPLE_FACTORS           	SU0004227	S00014943	Timepoint:60 | Type:KO | Treatment:yes	
#COLLECTION
CO:COLLECTION_SUMMARY            	None available, see publication
CO:SAMPLE_TYPE                   	Cells
#TREATMENT
TR:TREATMENT_SUMMARY             	None, see publication
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	See attached file.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Agilent 1260
CH:COLUMN_NAME                   	Phenomenex Luna NH2 (150 x 1mm, 3um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:INSTRUMENT_NAME               	Agilent 6520 QTOF
MS:INSTRUMENT_NAME               	Agilent Q-TOF 6520
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Area normalized
MS_METABOLITE_DATA_START
Samples	S00014926	S00014927	S00014928	S00014929	S00014930	S00014931	S00014932	S00014933	S00014934	S00014935	S00014936	S00014937	S00014938	S00014939	S00014940	S00014941	S00014942	S00014943
Factors	Timepoint:0 | Type:WT | Treatment:no	Timepoint:5 | Type:WT | Treatment:yes	Timepoint:60 | Type:WT | Treatment:yes	Timepoint:0 | Type:WT | Treatment:yes	Timepoint:5 | Type:WT | Treatment:yes	Timepoint:60 | Type:WT | Treatment:yes	Timepoint:0 | Type:WT | Treatment:yes	Timepoint:5 | Type:WT | Treatment:yes	Timepoint:60 | Type:WT | Treatment:yes	Timepoint:0 | Type:KO | Treatment:yes	Timepoint:5 | Type:KO | Treatment:yes	Timepoint:60 | Type:KO | Treatment:yes	Timepoint:0 | Type:KO | Treatment:yes	Timepoint:5 | Type:KO | Treatment:yes	Timepoint:60 | Type:KO | Treatment:yes	Timepoint:0 | Type:KO | Treatment:yes	Timepoint:5 | Type:KO | Treatment:yes	Timepoint:60 | Type:KO | Treatment:yes
2PG/3PG	16274	36464	36957	39484	38626	24271	37642	42008	21013	26529	19891	19612	23141	22777	28068	12150	14020	12569
2PG/3PG_13C_1																		
2PG/3PG_13C_2		6060	13724		21034	12745		17094	9769		4239	8126		2495	8750		1190	3936
2PG/3PG_13C_3																		
6PG	1499560	1494104	1205586	1880645	1214590	529691	1065849	732503	440767	220555	213924	82574	608342	751512	564534	1264456	1577398	752055
6PG_13C_1	39431	57704	116804	42294	48699	45432	24817	29578	42872	4230	6964	4732	13747	25863	51717	31023	45784	58062
6PG_13C_2	1119	70385	189039	124	42449	82336		36943	61688	1034	5192	10151	1577	21921	80994	572	31197	92948
6PG_13C_3	641	4463	27823	2989	3533	7698	324	1652	6384	1043	187	1213	142	3358	11984	1792	3065	9419
6PG_13C_4	1410	3975	14887		3734	9850	1749	3030	4649			4497	1247	2352	6884	1696	2191	5930
6PG_13C_5																		
6PG_13C_6																		
aCoA	20055	20483	17430	13322	14703	8333	22848	15771	7750	8087	2130	1654	6108	7885	9450	9994	9443	9264
aCoA_13C_1							1125											
aCoA_13C_2		977	1334					1567										
ADP	5106312	3736115	2923986	4555535	3440669	2357918	3312106	2676079	1884643	1941838	2016247	1606587	1984055	2672891	2314463	2317258	3040584	1974488
ADP_13C_1		17487	237074		37858	318977		60077	212082	10759	29190	83595		23757	138009		45436	244136
ADP_13C_2		41030	280056	2899	47076	283324		67941	199799	4269	23794	94195	256	16274	159008	353	25555	151503
ADP_13C_3	948	26022	170094	4083	32476	187162	2902	36243	131493	4060	20319	49544	2155	16694	85046	1990	27980	115934
ADP_13C_4	468	23203	188037	1721	27196	185335	1931	36267	131192	2474	10736	60944		9747	102693	893	14196	92461
ADP_13C_5	571	2103	16878	276	1887	15607			8550			4955			7594		94	7678
AMP	9232931	4754276	4163506	8759131	3654381	3725346	5990353	3282056	2360945	3354852	1754016	1653393	5143878	4717706	3445846	4627964	5272603	4083615
AMP_13C_1		29883	352362		46818	591837		47596	231504		12455	72908		39137	202460		67182	497693
AMP_13C_2	2643	58753	393884	11173	53515	449882	4845	84442	259953	2167	15177	102294		34793	232600	586	42763	311742
AMP_13C_3	1752	35575	214325	4126	35539	306836	4839	36772	166656	4048	21526	50072	3157	26786	117253	2890	47797	232708
AMP_13C_4	202	30994	272761	3289	30668	316345	3167	41908	158011	5066	8519	63962	948	16014	159289		25649	193362
AMP_13C_5	1104	1712	23205	1346	2651		2089		12491			7716			11104		2049	18355
ASP	3294291	2095908	2957748	3980547	2860401	3168596	3208570	2895511	2260708	1928522	1824155	1522770	2384512	2348833	2865664	2019848	2883090	2835123
ASP_13C_1	1213	2049	47775		7273	52992		2753	37605		659	13023		1550	46577	1038	1214	25508
ASP_13C_2	66	50064	228426		48459	238724	721	63671	147958		19553	93002		24350	187674	726	23595	170247
ASP_13C_3	989	4989	21472	3869	2921	20707		1757	9882			5940			15229		2115	14676
ASP_13C_4	40		3899			2981			1018			115		514	441			411
ATP	1338732	1672866	1702067	2030474	2573303	1203213	1660505	2095848	1347006	1132851	2033758	1434687	836129	1369801	1465809	948057	1328047	766070
ATP_13C_1		13002	138438	6003	30258	171834		45649	159491	5294	23361	73064	4658	16209	101835	3028	25215	100919
ATP_13C_2		21019	165776	3141	31551	145486	1337	55912	148331	1036	18529	86876	1752	9326	108560	3144	11138	59941
ATP_13C_3		10632	95410	1698	27253	104585	1445	29427	91849	2896	15065	42391	572	7709	54944		11591	43930
ATP_13C_4		11689	108919		20506	92490	1631	27070	92882	1912	12122	54682		5134	68461	682	7514	37382
ATP_13C_5			10910			8492		701	7144			3102			3702			3695
CIT/ICIT	3615408	3165860	3478283	6197480	5658907	2982839	4137697	3763242	2647202	2294754	2666	2911149	1868102	2988510	2855585	2609678	4688557	1134
CIT/ICIT_13C_1	6951	37198	101047	13588	92498	98026	19804	73900	87837	14509	245763	83474	8501	30489	76793		45722	290394
CIT/ICIT_13C_2	10333	403643	791559	19614	1136814	868745	17614	847691	613681	19176	379456	523536	11844	243744	483292	7600	479576	662295
CIT/ICIT_13C_3	7238	5515	32727	2039	4939	29716	2106	6567	23473	1147	2397	10399	364	2617	19813	404	4879	16414
CIT/ICIT_13C_4		15628	53314		24243	48609		18682	30553			22032			22639			37347
CIT/ICIT_13C_5	10957	1641	5388	3056	3818	6695	2739	4951	6117			5199		2590	5396			3936
CIT/ICIT_13C_6	9033	4963	7440	6717	8232	9141	3229	5850	4492	6661	4981	8684	5039	5216	5008	3660	5387	5477
E4P	49789	30745	26651	33953	33355	21806	36602	31332	16446	37474	15729	20501	55279	34088	36403	22666	30311	36777
E4P_13C_1												1798						1209
E4P_13C_2		1373	4875	1636	3951	3073	751	6131	1482	507	3027	4894	1392	3162	6664	1263	5237	4347
E4P_13C_3	3323	4841	6169	12120	11965	15081	6805	7886	9086	5860	4233	4839	3317	4228	5237	2024	2055	2634
E4P_13C_4				281	99	1090		956	521									
FBP	264487	109308	58904	136583	100321	52461	371234	192777	60691	205079	81026	55683	380625	143969	98052	56105	83582	50885
FBP_13C_1	414	3681	4588	918	8038	4853	298	17533	4889	1643	7715	8994		3766	10492	13	3985	4385
FBP_13C_2	4867	34063	54902	8949	170088	63743	8351	214363	70213	15438	40654	63896	7498	31186	63228	3818	23591	34457
FBP_13C_3		515	2775		6610	2756		7822	2029		2000	4610		715	4024	7	222	2456
FBP_13C_4		3570	8921		19659	8989	1056	31498	9955	1838	4121	8587	640	2645	8640		3143	4659
FBP_13C_5																		
FBP_13C_6																		
G3P	42744	25657	23678	111822	65923	36541	57980	30225	26951	76891	47961	34827	61099	50573	37408	80546	54797	44727
G3P_13C_1		344	588		1495	626		167	1348		1389	1572		215	593		1546	1936
G3P_13C_2	289	13120	18473		39555	28046	66	16128	18993	724	20917	19601		17452	20813	205	30340	30342
G3P_13C_3																		
G6P/F6P	853642	373737	219122	584478	284713	182049	581495	339721	139591	856402	247572	239953	1294911	484269	337620	453781	412621	388178
G6P/F6P_13C_1	5270	10524	17660	4228	23424	24693	1915	24695	17197	9574	30044	56849	3407	24563	33204	1527	23292	48307
G6P/F6P_13C_2	6859	168743	338946	14285	553123	355419	12389	377407	233809	4168	175969	397237	8977	207660	369524	8691	251368	493485
G6P/F6P_13C_3		5736	16935		14567	16938		11248	10353		10404	29768		7822	19523		10565	30900
G6P/F6P_13C_4		25159	55474	4231	52040	65837		64984	46668		24393	61917		19243	51232		28726	82061
G6P/F6P_13C_5					5741	3463	16	2948	1472		2073	10543		2999	8218		1222	10836
G6P/F6P_13C_6												1143						
GI_OH3P	380445	221620	235583	668413	455010	203013	597578	499004	197772	147494	75730	74957	175660	79490	104042	269156	157861	106701
GI_OH3P_13C_1	1096	3986	5017	2144	10888	7164	463	9280	5591		2495	3777	44	1720	3645	584	4988	5244
GI_OH3P_13C_2		54010	104330	12085	221830	128462	14465	121786	81112		26564	38303	11111	23955	58751	8479	62891	67058
GI_OH3P_13C_3	135	1090	1529		1415	1764		4244	1840					81	612	5	447	1769
GLU	7604226	10536930	12635201	17678293	18255242	13545585	8602022	9758514	10297527	5497071	6650128	4999551	5401701	9569496	9497201	7687474	13054681	10325917
GLU_13C_1		4104	165223			196059		26338	132581	3749	23289	71623	5089	17809	145667		23329	116441
GLU_13C_2		393552	1124197		549837	1119042		350773	772995	921	184874	417690		261438	821503	418	266261	776678
GLU_13C_3	1617	3238	63466		8538	60732	329	5017	39890	8	2260	23065		2796	50746		690	32689
GLU_13C_4	280	5358	53674		6919	57572		3729	34439		431	14261		1298	35308	169	892	32987
GLU_13C_5	2944	109	2427			2555			992									518
LAC	55397	50599	32628	57007	29522	21860	42612	24638	18167	29139	19422	16755	35567	23943	23860	30302	31115	23532
LAC_13C_1																		
LAC_13C_2		15163	15609		14740	14922		11528	9113		3155	5697		2061	7015		9301	9365
LAC_13C_3																		
MAL	6423876	5378687	5880455	9221443	7866986	5464776	6299982	5636821	4483571	4350347	4364424	3447124	4794467	5396790	4927373	6034060	8474793	5493658
MAL_13C_1	750	12948	112526	2656	24158	102010		14942	71766	1344	9943	48883	674	9518	87941		5340	71786
MAL_13C_2	3849	130421	490253		145567	422781	6785	142435	311352	5871	70360	219152	6722	77902	355470	7318	84446	351878
MAL_13C_3	2543	4879	35079	3047	3716	30014	940	5647	25502	3316	3368	16592	2608	4468	33289	1626	4324	23106
MAL_13C_4	1806	2051	11516			9869	572	1890	7118		2738	4413		1144	4430			6614
mCoA																		
mCoA_13C_1																		
mCoA_13C_2																		
mCoA_13C_3																		
NAD	20739	74859	79650	100255	76906	43682	14502	21142	30337	19181	36614	21460	9659	33024	41031	85689	72843	50010
NAD_13C_1	790	669	8050	1703	3234	8760		1663	5050	11	983	1227			1819		404	3709
NAD_13C_2		1797	10768		1078	7847			5636						2503			2434
NAD_13C_3		764	5702		196	5273		68	3213			78		16	792			621
NAD_13C_4		355	6110	89	413	5343			3593		34	232			1534			2058
NAD_13C_5		53	3208	307		1560			1679		609							630
NADH	35658	50104	53221	67350	101165	30651	23119	35675	44352	41225	54599	40350	22226	39976	48112	56838	79590	59821
NADH_13C_1	471	2093	6897		2939	5587	408	1297	6839	441	1725	3030	65	1001	4407	760	2656	4893
NADH_13C_2		483	5645	858	2376	5150		2217	9234		732	2410		206	3931		670	2464
NADH_13C_3		989	5248		3236	4186	104	40	6174			227	63		1511			1812
NADH_13C_4			4503		1417	6072	244	814	6031		186	2178			2339			2616
NADH_13C_5																		
PEP																		
PEP_13C_1																		
PEP_13C_2																		
PEP_13C_3																		
R5P/X5P	532753	328305	243559	411261	218149	178044	369794	256721	131877	305405	80001	78056	551258	255329	238018	198557	230524	156396
R5P/X5P_13C_1	1681	14020	44529	5804	41441	51555	9200	45292	36610	3056	18605	26765	3121	25260	53626	2125	19498	40038
R5P/X5P_13C_2	949	17451	44380		22651	34235	1930	40491	25828	2875	10719	19975	870	16071	41527	2738	12980	27767
R5P/X5P_13C_3		5264	21948		14104	23031	163	21816	17478		5088	10893		6422	18614		6264	14066
R5P/X5P_13C_4		3787	17972	543	4458	16628		7403	10753			6616	85	2169	13830	81	1476	13388
R5P/X5P_13C_5			353			510	200		679		144				282			468
S7P	216214	167576	144905	208573	119764	90492	174147	113346	92467	193294	85815	57475	202603	149261	125751	122183	131346	89483
S7P_13C_1	3202	15491	23214	1581	30861	23782		21015	17161	2609	18704	29890	1998	24075	36041	1175	24943	34072
S7P_13C_2		21606	48435		37316	45486		29877	32460		25199	44450		18656	47105		28190	49663
S7P_13C_3		5345	14729	41	15748	17251		10709	13236	286	7289	17577	274	7105	14793	278	7790	19066
S7P_13C_4	1168	3421	13213	1220	12656	14135	174	6682	10786		4769	10966	313	2564	11393	102	5469	12960
S7P_13C_5	8395	10207	6961	9891	7882	6979	12303	12730	4589	3241	2087	4978	2701	2803	4261	20014	14031	7566
S7P_13C_6	588	10567	6508		8870	2746	1015	11224	3490	109	1155	325	434	3206	1290	1379	15673	5216
S7P_13C_7		11744	7280		9889	7020		15329		2684			181	3597	3970		11310	5599
SUC	306712	287811	315321	410833	277375	207445	212608	180396	169384	116046	114977	86868	112046	169802	193940	269208	288073	237262
SUC_13C_1	273	1662	6243	1362	3609	2543	924	1894	412	527	523	2960	1001	1322	972	86	1768	5880
SUC_13C_2		13851	25448	7255	13264			2541	9458					4973	13151		4829	22130
SUC_13C_3			4936									1110			1164			1517
SUC_13C_4																	6203	33912
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem CID	Full Name
2PG/3PG	724	2 or 3-phosphoglycerate
2PG/3PG_13C_1	724	2 or 3-phosphoglycerate
2PG/3PG_13C_2	724	2 or 3-phosphoglycerate
2PG/3PG_13C_3	724	2 or 3-phosphoglycerate
6PG	91493	6-Phosphogluconate
6PG_13C_1	91493	6-Phosphogluconate
6PG_13C_2	91493	6-Phosphogluconate
6PG_13C_3	91493	6-Phosphogluconate
6PG_13C_4	91493	6-Phosphogluconate
6PG_13C_5	91493	6-Phosphogluconate
6PG_13C_6	91493	6-Phosphogluconate
aCoA	444493	Acetyl-CoA
aCoA_13C_1	444493	Acetyl-CoA
aCoA_13C_2	444493	Acetyl-CoA
ADP	6022	Adenosine diphosphate
ADP_13C_1	6022	Adenosine diphosphate
ADP_13C_2	6022	Adenosine diphosphate
ADP_13C_3	6022	Adenosine diphosphate
ADP_13C_4	6022	Adenosine diphosphate
ADP_13C_5	6022	Adenosine diphosphate
AMP	6083	Adenosine monophosphate
AMP_13C_1	6083	Adenosine monophosphate
AMP_13C_2	6083	Adenosine monophosphate
AMP_13C_3	6083	Adenosine monophosphate
AMP_13C_4	6083	Adenosine monophosphate
AMP_13C_5	6083	Adenosine monophosphate
ASP	424	Aspartate
ASP_13C_1	424	Aspartate
ASP_13C_2	424	Aspartate
ASP_13C_3	424	Aspartate
ASP_13C_4	424	Aspartate
ATP	5957	Adenosine triphosphate
ATP_13C_1	5957	Adenosine triphosphate
ATP_13C_2	5957	Adenosine triphosphate
ATP_13C_3	5957	Adenosine triphosphate
ATP_13C_4	5957	Adenosine triphosphate
ATP_13C_5	5957	Adenosine triphosphate
CIT/ICIT	311	Citrate or Isocitrate
CIT/ICIT_13C_1	311	Citrate or Isocitrate
CIT/ICIT_13C_2	311	Citrate or Isocitrate
CIT/ICIT_13C_3	311	Citrate or Isocitrate
CIT/ICIT_13C_4	311	Citrate or Isocitrate
CIT/ICIT_13C_5	311	Citrate or Isocitrate
CIT/ICIT_13C_6	311	Citrate or Isocitrate
E4P	122357	Erythrose 4-phosphate
E4P_13C_1	122357	Erythrose 4-phosphate
E4P_13C_2	122357	Erythrose 4-phosphate
E4P_13C_3	122357	Erythrose 4-phosphate
E4P_13C_4	122357	Erythrose 4-phosphate
FBP	21125049	Fructose 1,6-bisphosphate
FBP_13C_1	21125049	Fructose 1,6-bisphosphate
FBP_13C_2	21125049	Fructose 1,6-bisphosphate
FBP_13C_3	21125049	Fructose 1,6-bisphosphate
FBP_13C_4	21125049	Fructose 1,6-bisphosphate
FBP_13C_5	21125049	Fructose 1,6-bisphosphate
FBP_13C_6	21125049	Fructose 1,6-bisphosphate
G3P	729	3-phosphoglyceraldehyde
G3P_13C_1	729	3-phosphoglyceraldehyde
G3P_13C_2	729	3-phosphoglyceraldehyde
G3P_13C_3	729	3-phosphoglyceraldehyde
G6P/F6P	5958	Glucose 6-phosphate or fructose-6-phosphate
G6P/F6P_13C_1	5958	Glucose 6-phosphate or fructose-6-phosphate
G6P/F6P_13C_2	5958	Glucose 6-phosphate or fructose-6-phosphate
G6P/F6P_13C_3	5958	Glucose 6-phosphate or fructose-6-phosphate
G6P/F6P_13C_4	5958	Glucose 6-phosphate or fructose-6-phosphate
G6P/F6P_13C_5	5958	Glucose 6-phosphate or fructose-6-phosphate
G6P/F6P_13C_6	5958	Glucose 6-phosphate or fructose-6-phosphate
GI_OH3P	754	3-Glycerophosphate
GI_OH3P_13C_1	754	3-Glycerophosphate
GI_OH3P_13C_2	754	3-Glycerophosphate
GI_OH3P_13C_3	754	3-Glycerophosphate
GLU	611	Glutamate
GLU_13C_1	611	Glutamate
GLU_13C_2	611	Glutamate
GLU_13C_3	611	Glutamate
GLU_13C_4	611	Glutamate
GLU_13C_5	611	Glutamate
LAC	612	Lactate
LAC_13C_1	612	Lactate
LAC_13C_2	612	Lactate
LAC_13C_3	612	Lactate
MAL	525	Malate
MAL_13C_1	525	Malate
MAL_13C_2	525	Malate
MAL_13C_3	525	Malate
MAL_13C_4	525	Malate
mCoA	10663	Malonyl-CoA
mCoA_13C_1	10663	Malonyl-CoA
mCoA_13C_2	10663	Malonyl-CoA
mCoA_13C_3	10663	Malonyl-CoA
NAD	15938971	Nicotinamide Adenine Dinucleotide oxidized
NAD_13C_1	15938971	Nicotinamide Adenine Dinucleotide oxidized
NAD_13C_2	15938971	Nicotinamide Adenine Dinucleotide oxidized
NAD_13C_3	15938971	Nicotinamide Adenine Dinucleotide oxidized
NAD_13C_4	15938971	Nicotinamide Adenine Dinucleotide oxidized
NAD_13C_5	15938971	Nicotinamide Adenine Dinucleotide oxidized
NADH	439153	Nicotinamide Adenine Dinucleotide reduced
NADH_13C_1	439153	Nicotinamide Adenine Dinucleotide reduced
NADH_13C_2	439153	Nicotinamide Adenine Dinucleotide reduced
NADH_13C_3	439153	Nicotinamide Adenine Dinucleotide reduced
NADH_13C_4	439153	Nicotinamide Adenine Dinucleotide reduced
NADH_13C_5	439153	Nicotinamide Adenine Dinucleotide reduced
PEP	1005	Phosphoenolpyruvate
PEP_13C_1	1005	Phosphoenolpyruvate
PEP_13C_2	1005	Phosphoenolpyruvate
PEP_13C_3	1005	Phosphoenolpyruvate
R5P/X5P	77982	Ribose-5-phosphate or xylulose 5-phosphate
R5P/X5P_13C_1	77982	Ribose-5-phosphate or xylulose 5-phosphate
R5P/X5P_13C_2	77982	Ribose-5-phosphate or xylulose 5-phosphate
R5P/X5P_13C_3	77982	Ribose-5-phosphate or xylulose 5-phosphate
R5P/X5P_13C_4	77982	Ribose-5-phosphate or xylulose 5-phosphate
R5P/X5P_13C_5	77982	Ribose-5-phosphate or xylulose 5-phosphate
S7P	165007	Sedoheptulose 7-phosphate
S7P_13C_1	165007	Sedoheptulose 7-phosphate
S7P_13C_2	165007	Sedoheptulose 7-phosphate
S7P_13C_3	165007	Sedoheptulose 7-phosphate
S7P_13C_4	165007	Sedoheptulose 7-phosphate
S7P_13C_5	165007	Sedoheptulose 7-phosphate
S7P_13C_6	165007	Sedoheptulose 7-phosphate
S7P_13C_7	165007	Sedoheptulose 7-phosphate
SUC	5988	Sucrose
SUC_13C_1	5988	Sucrose
SUC_13C_2	5988	Sucrose
SUC_13C_3	5988	Sucrose
SUC_13C_4	5988	Sucrose
METABOLITES_END
#END