#METABOLOMICS WORKBENCH jgiafaglione_20230912_161426 DATATRACK_ID:4311 STUDY_ID:ST002860 ANALYSIS_ID:AN004690 PROJECT_ID:PR001788
VERSION             	1
CREATED_ON             	September 13, 2023, 3:21 pm
#PROJECT
PR:PROJECT_TITLE                 	MYC is a regulator of AR inhibition-induced metabolic requirements in prostate
PR:PROJECT_TITLE                 	cancer
PR:PROJECT_SUMMARY               	Advanced prostate cancers are treated with therapies targeting the androgen
PR:PROJECT_SUMMARY               	receptor (AR) signaling pathway. While many tumors initially respond to AR
PR:PROJECT_SUMMARY               	inhibition, nearly all develop resistance. It is critical to understand how
PR:PROJECT_SUMMARY               	prostate tumor cells respond to AR inhibition in order to exploit
PR:PROJECT_SUMMARY               	therapy-induced phenotypes prior to the outgrowth of treatment-resistant
PR:PROJECT_SUMMARY               	disease. Here, we comprehensively characterize the effect of AR blockade on
PR:PROJECT_SUMMARY               	prostate cancer metabolism using transcriptomics, metabolomics and bioenergetics
PR:PROJECT_SUMMARY               	approaches. The metabolic response to AR inhibition is defined by reduced
PR:PROJECT_SUMMARY               	glycolysis, robust elongation of mitochondria, and increased reliance on
PR:PROJECT_SUMMARY               	mitochondrial oxidative metabolism. We establish DRP1 activity and MYC signaling
PR:PROJECT_SUMMARY               	as mediators of AR blockade-induced metabolic phenotypes. Rescuing DRP1
PR:PROJECT_SUMMARY               	phosphorylation after AR inhibition restores mitochondrial fission, while
PR:PROJECT_SUMMARY               	rescuing MYC restores glycolytic activity and prevents sensitivity to complex I
PR:PROJECT_SUMMARY               	inhibition. Our study provides new insight into the regulation of
PR:PROJECT_SUMMARY               	treatment-induced metabolic phenotypes and vulnerabilities in prostate cancer.
PR:INSTITUTE                     	UCLA
PR:LABORATORY                    	Goldstein Lab
PR:LAST_NAME                     	Giafaglione
PR:FIRST_NAME                    	Jenna
PR:ADDRESS                       	610 Charles E Young Dr S, Los Angeles, CA, 90024, USA
PR:EMAIL                         	jgiafaglione@g.ucla.edu
PR:PHONE                         	408-728-3065
#STUDY
ST:STUDY_TITLE                   	Glucose tracing in vehicle- and Enzalutamide-treated 16D prostate cancer cells
ST:STUDY_TITLE                   	(replicates 2 and 3)
ST:STUDY_SUMMARY                 	In this study, we sought to determine how Enzalutamide treatment alters
ST:STUDY_SUMMARY                 	metabolism in 16D prostate cancer cells (replicates 2 and 3).
ST:INSTITUTE                     	UCLA
ST:LABORATORY                    	Goldstein Lab
ST:LAST_NAME                     	Giafaglione
ST:FIRST_NAME                    	Jenna
ST:ADDRESS                       	610 Charles E Young Dr S, Los Angeles, CA, 90024, USA
ST:EMAIL                         	jgiafaglione@g.ucla.edu
ST:PHONE                         	408-728-3065
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	-	20201210_Naive-1	Treatment:Vehicle (DMSO)	RAW_FILE_NAME=20201210_Naive-1.D
SUBJECT_SAMPLE_FACTORS           	-	20201210_Naive-2	Treatment:Vehicle (DMSO)	RAW_FILE_NAME=20201210_Naive-2.D
SUBJECT_SAMPLE_FACTORS           	-	20201210_Naive-3	Treatment:Vehicle (DMSO)	RAW_FILE_NAME=20201210_Naive-3.D
SUBJECT_SAMPLE_FACTORS           	-	20201210_LTEnza-1	Treatment:10uM Enzalutamide	RAW_FILE_NAME=20201210_LTEnza-1.D
SUBJECT_SAMPLE_FACTORS           	-	20201210_LTEnza-2	Treatment:10uM Enzalutamide	RAW_FILE_NAME=20201210_LTEnza-2.D
SUBJECT_SAMPLE_FACTORS           	-	20201210_LTEnza-3	Treatment:10uM Enzalutamide	RAW_FILE_NAME=20201210_LTEnza-3.D
SUBJECT_SAMPLE_FACTORS           	-	20201211_Naive-1	Treatment:Vehicle (DMSO)	RAW_FILE_NAME=20201211_Naive-1.D
SUBJECT_SAMPLE_FACTORS           	-	20201211_Naive-2	Treatment:Vehicle (DMSO)	RAW_FILE_NAME=20201211_Naive-2.D
SUBJECT_SAMPLE_FACTORS           	-	20201211_Naive-3	Treatment:Vehicle (DMSO)	RAW_FILE_NAME=20201211_Naive-3.D
SUBJECT_SAMPLE_FACTORS           	-	20201211_LTEnza-1	Treatment:10uM Enzalutamide	RAW_FILE_NAME=20201211_LTEnza-1.D
SUBJECT_SAMPLE_FACTORS           	-	20201211_LTEnza-2	Treatment:10uM Enzalutamide	RAW_FILE_NAME=20201211_LTEnza-2.D
SUBJECT_SAMPLE_FACTORS           	-	20201211_LTEnza-3	Treatment:10uM Enzalutamide	RAW_FILE_NAME=20201211_LTEnza-3.D
#COLLECTION
CO:COLLECTION_SUMMARY            	16D prostate cancer cells were cultured with vehicle or Enzalutamide for >2
CO:COLLECTION_SUMMARY            	months.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Vehicle- and Enzalutamide-treated 16D cells were cultured in U13C-glucose
TR:TREATMENT_SUMMARY             	containing media for 24 hours.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cell plates were placed on ice and quickly washed with ice-cold 0.9% (w/v) NaCl.
SP:SAMPLEPREP_SUMMARY            	Cells were immediately treated with 500 μL of ice-cold MeOH and 200 μL water
SP:SAMPLEPREP_SUMMARY            	containing 1 μg of the internal standard norvaline. Cells were then scraped and
SP:SAMPLEPREP_SUMMARY            	placed in 1.5 mL centrifuge tubes kept on ice. Next, 500 μL of chloroform was
SP:SAMPLEPREP_SUMMARY            	added, after which samples were vortexed for 1 minute and then spun at 10,000g
SP:SAMPLEPREP_SUMMARY            	for 5 minutes at 4C. The aqueous layer was transferred to a GC/MS sample vial
SP:SAMPLEPREP_SUMMARY            	and dried overnight using a refrigerated CentriVap.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent DB5-MS (30m x 0.25mm, 0.25um)
CH:SOLVENT_A                     	N/A (GC-MS)
CH:SOLVENT_B                     	N/A (GC-MS)
CH:FLOW_GRADIENT                 	N/A (GC-MS)
CH:FLOW_RATE                     	1 ml/min
CH:COLUMN_TEMPERATURE            	320
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 5977B
MS:INSTRUMENT_TYPE               	GC-TOF
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Data was analyzed using Agilent MassHunter software. Stable isotope tracing data
MS:MS_COMMENTS                   	was corrected for natural abundance of heavy isotopes with FluxFix software
MS:MS_COMMENTS                   	using a reference set of unlabeled metabolite standards2.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	abundance
MS_METABOLITE_DATA_START
Samples	20201210_LTEnza-1	20201210_LTEnza-2	20201210_LTEnza-3	20201210_Naive-1	20201210_Naive-2	20201210_Naive-3	20201211_LTEnza-1	20201211_LTEnza-2	20201211_LTEnza-3	20201211_Naive-1	20201211_Naive-2	20201211_Naive-3
Factors	Treatment:10uM Enzalutamide	Treatment:10uM Enzalutamide	Treatment:10uM Enzalutamide	Treatment:Vehicle (DMSO)	Treatment:Vehicle (DMSO)	Treatment:Vehicle (DMSO)	Treatment:10uM Enzalutamide	Treatment:10uM Enzalutamide	Treatment:10uM Enzalutamide	Treatment:Vehicle (DMSO)	Treatment:Vehicle (DMSO)	Treatment:Vehicle (DMSO)
a-Ketoglutarate(M0)	2308	3174	2179	3575	3563	4523	7286	5341	5808	6614	5828	9048
a-Ketoglutarate(M1)	824	1137	796	1090	1091	1394	2529	1845	2018	1974	1747	2699
a-Ketoglutarate(M2)	1081	1511	1045	1442	1467	1844	3087	2227	2450	2376	2110	3301
a-Ketoglutarate(M3)	465	630	447	561	584	719	1180	847	925	828	743	1160
a-Ketoglutarate(M4)	374	500	278	483	550	664	48	30	33	583	543	865
a-Ketoglutarate(M5)	137	188	160	206	223	272	267	170	202	214	198	320
a-Ketoglutarate(M6)	94	125	151	47	144	167	46	44	47	56	39	67
Alanine260(M0)	113884	137830	109041	191358	180799	184148	145472	116239	128076	165788	145905	211726
Alanine260(M1)	28584	34508	27286	51066	47917	48931	35676	28583	31482	43107	37802	54995
Alanine260(M2)	17619	21294	16795	39668	36645	37751	20870	16717	18414	30936	27085	39785
Alanine260(M3)	105997	127378	100693	351210	317043	330804	117047	94222	101646	250370	218903	325494
Alanine260(M4)	20851	25144	19774	69836	62976	65796	23077	18580	20011	49665	43333	64748
Asparagine(M0)	209041	206280	165866	399453	321530	350868	205344	140309	171345	251834	252799	305606
Asparagine(M1)	78905	77957	62473	149738	119985	131481	76785	52343	64050	93399	94073	114070
Asparagine(M2)	42024	41477	33260	80295	64303	70551	40110	27205	33334	49235	49666	60235
Asparagine(M3)	12947	12776	10263	25560	20481	22395	11786	7962	9758	14844	14994	18277
Asparagine(M4)	4052	4013	3231	8265	6596	7247	3539	2392	2929	4576	4626	5677
Asparagine(M5)	1069	1037	850	2227	1744	1935	872	583	724	1171	1184	1459
Aspartate418(M0)	61459	65072	53219	121351	112107	115674	73460	50279	60418	113736	113876	147236
Aspartate418(M1)	28200	29754	24521	51618	47813	49216	32528	22245	27041	46674	46913	60897
Aspartate418(M2)	23275	24393	20216	48224	44770	45858	25738	17626	21538	39690	39997	52319
Aspartate418(M3)	11883	12389	10286	28804	26688	27148	11939	8249	10039	20124	20248	26650
Aspartate418(M4)	4994	5186	4340	13161	12162	12348	4711	3232	3957	8291	8306	11021
Aspartate418(M5)	1547	1604	1343	4340	4004	4046	1435	982	1183	2599	2596	3451
Citrate459(M0)	90935	95835	76428	165000	144693	147577	113527	78309	102254	111678	120563	143889
Citrate459(M1)	44368	46729	37427	75338	66328	67592	53987	37071	48652	49841	53882	64331
Citrate459(M2)	61434	64676	51711	148342	131127	134585	72641	49981	65130	93168	100179	120266
Citrate459(M3)	30621	32102	25690	71547	63458	64931	34029	23349	30303	41841	45230	54307
Citrate459(M4)	19556	20575	16391	54483	48110	49307	20731	14216	18360	29443	31873	38495
Citrate459(M5)	9033	9438	7564	29407	26027	26640	8862	6122	7835	14149	15255	18566
Citrate459(M6)	3433	3563	2853	12337	10821	11217	3237	2235	2836	5635	6083	7376
Citrate459(M7)	1085	1110	896	4102	3599	3722	997	678	868	1787	1929	2355
Citrate591(M0)	16371	17233	13728	29518	25955	26358	20399	13987	18370	20021	21614	25963
Citrate591(M1)	9925	10483	8319	16984	14988	15235	12086	8338	10837	11331	12213	14716
Citrate591(M2)	12459	13139	10466	28864	25519	26082	14765	10157	13222	18202	19638	23713
Citrate591(M3)	7059	7413	5907	16267	14472	14828	7987	5457	7101	9754	10538	12695
Citrate591(M4)	4493	4737	3776	11915	10582	10867	4867	3313	4302	6661	7189	8691
Citrate591(M5)	2209	2312	1855	6777	5949	6150	2250	1537	1972	3374	3669	4467
Citrate591(M6)	918	963	766	3103	2729	2831	893	604	795	1464	1585	1947
Citrate591(M7)	326	336	269	1177	1028	1078	308	207	265	525	573	714
Cysteine(M0)	1416	11567	9355	11026	6307	9497	29784	20682	18672	8075	10425	2200
Cysteine(M1)	477	4016	3265	3817	2178	3304	10414	7228	6491	2797	3607	756
Cysteine(M2)	291	2374	1926	2256	1278	1930	6129	4239	3818	1655	2141	451
Cysteine(M3)	42	601	487	589	333	506	1564	1090	980	430	553	121
Cysteine(M4)	20	180	146	178	102	153	465	326	297	122	168	39
Fumarate(M0)	16148	15515	13751	41621	35368	39858	22090	16714	19903	52500	46466	68316
Fumarate(M1)	5667	5526	4916	12762	10954	12314	7324	5549	6603	15611	13820	20386
Fumarate(M2)	5332	5164	4660	13269	11507	12881	6386	4814	5787	14764	13027	19420
Fumarate(M3)	2518	2454	2195	7291	6303	7158	2747	2085	2480	6943	6109	9185
Fumarate(M4)	1108	1095	993	3097	2727	2997	1297	1045	1171	2874	2483	3722
Fumarate(M5)	272	269	246	803	708	789	317	248	284	721	629	955
GABA(M0)	114	178	112	4768	4867	5071	162	140	2908	4653	4237	6859
GABA(M1)	41	36	35	63	77	66	57	88	56	90	95	141
GABA(M2)	23	84	89	34	31	36	83	104	97	88	71	119
GABA(M3)	33	794	408	78	722	623	45	321	628	38	46	76
GABA(M4)	8	141	72	8	142	124	8	15	117	94	83	20
GABA(M5)	39	58	29	4	74	8	38	25	5	41	58	6
Glutamate432(M0)	659464	645645	486162	688637	675416	647641	668050	524064	599806	647938	652747	669195
Glutamate432(M1)	314068	307933	267740	319255	282244	299333	349022	266661	313172	263963	240197	314644
Glutamate432(M2)	374888	369223	320019	373483	333133	351217	392753	299018	350861	284132	288579	343239
Glutamate432(M3)	188841	186495	161012	174085	156084	164167	180972	136805	160405	119647	121824	145731
Glutamate432(M4)	113922	112280	97034	115849	103505	109110	101338	75862	88973	70075	71679	86695
Glutamate432(M5)	48178	47356	40894	54942	48804	51390	38550	28763	33606	28179	29087	35281
Glutamate432(M6)	15627	15405	13248	18371	16314	17168	12207	9097	10604	9094	9421	11484
Isoleu-274(M0)	19588	23174	20229	24957	28493	27271	26314	20206	21296	24618	22056	33435
Isoleucine274(M0)	20420	23995	20962	30002	31825	32585	29203	22297	23668	28998	27234	38465
Isoleucine274(M1)	5282	6156	5336	7631	8303	8320	7439	5688	6052	7374	6960	9797
Isoleucine274(M2)	2008	2396	2034	2798	291	3108	2871	2231	2156	2913	2482	3874
Isoleucine274(M3)	342	404	336	41	54	54	477	360	393	486	26	53
Isoleucine274(M4)	51	70	59	74	84	22	77	52	65	83	79	19
Isoleucine274(M5)	1	9	2	1	6	0	9	1	1	5	0	15
Isoleucine274(M6)	5	4	0	1	2	1	2	2	0	3	1	2
Isoleucine274(M7)	1	5	2		10	10	48	42	45	33	3	46
Itaconate(M0)	260	250	193	497	331	279	308	305	318	266	257	323
Itaconate(M1)	111	114	83	177	138	132	136	110	118	96	103	115
Itaconate(M2)	70	92	58	87	92	93	74	55	59	61	59	85
Itaconate(M3)	33	36	23	42	47	52	31	32	30	32	30	43
Itaconate(M4)	20331	25118	21772	26194	37654	29417	24898	29350	23644	22660	21320	30049
Itaconate(M5)	5294	6512	5905	6799	9131	6983	6409	7615	5697	6008	5474	7769
Itaconate(M6)	1475	1819	1644	1888	2672	2095	1766	2097	1691	1606	1512	1950
KIC(M0)	3555	3553	3134	4644	4193	4335	13349	10388	8840	6599	5820	8671
KIV(M0)	1073	1098	1329	1469	1355	945	1585	1377	1901	2018	1475	1698
KMV(M0)	2345	2797	2483	4202	4150	3995	6143	5340	4522	5522	4964	7669
Lactate261(M0)	19660	22791	16413	69197	50655	53722	82474	58064	55351	108220	85916	135335
Lactate261(M1)	4762	5577	4014	17611	12831	13808	19419	13697	13121	26849	21562	34009
Lactate261(M2)	3154	3734	133	14563	10164	11690	11873	8549	8206	20895	17187	27441
Lactate261(M3)	17816	22443	15665	131360	89789	109355	66040	51054	49261	182911	154995	249886
Lactate262(M4)	3464	4332	3039	25307	17384	21114	12747	9824	9540	35315	29915	48465
Malate(M0)	22152	24814	20678	77832	69610	75864	35739	24980	31533	92522	88196	120255
Malate(M1)	10602	11927	9933	32518	29362	31794	15994	11114	14119	37352	35728	48756
Malate(M2)	10078	11352	9509	31834	28930	31140	13984	9674	12402	33177	31785	43558
Malate(M3)	5285	6031	5036	18721	17016	18408	6748	4675	5948	16784	16069	22196
Malate(M4)	2404	2749	2291	8727	7899	8548	2789	1937	2478	7033	6748	9361
Malate(M5)	765	889	732	2892	2625	2843	866	595	761	2246	2131	2993
Methionine320(M0)	7408	8677	7045	7669	7738	8073	10632	7449	8617	7897	7316	10492
Methionine320(M1)	1949	2289	1847	2082	2088	2200	2795	1944	2252	2120	1960	2819
Methionine320(M2)	1094	1280	1037	1145	1153	1209	1553	1089	1267	1171	1094	1558
Methionine320(M3)	226	269	218	254	262	278	316	221	261	249	232	342
Methionine320(M4)	9	192	147	299	300	308	184	130	158	245	230	334
Methionine320(M5)	26	27	22	60	50	63	24	1	21	39	39	63
Methionine320(M6)	12	10	10	23	27	23	8	10	10	17	18	28
N-AcetylAspartate(M0)		241	5	55			378	211	264	305	224	623
N-AcetylAspartate(M1)	11	26		32	35	22	174	284	380	128	197	117
N-AcetylAspartate(M2)	1		4		5	33	173	5	34	6		15
N-AcetylAspartate(M3)	14	4	21	16	7		8	4			30	37
N-AcetylAspartate(M4)									1			19
N-AcetylAspartate(M5)				11			5		16	1		2
Norvaline 260(M0)	381672	439006	379407	327490	356681	369672	471851	404007	446796	344293	310949	437694
Norvaline 260(M1)	94409	108750	93844	80808	88381	91602	116983	100016	110773	85002	76774	108624
Norvaline 260(M2)	37121	42949	36937	31665	34979	36000	45978	39304	43617	33374	30204	42760
Norvaline 260(M3)	5814	6636	5665	4851	5414	5600	7113	6140	6872	5266	4743	6656
Norvaline 288(M0)	313437	377939	327524	267098	297664	307973	411205	351224	390192	299753	272331	385154
Norvaline 288(M1)	78835	95474	82470	67123	75089	77865	104102	88677	98640	75392	68819	97373
Norvaline 288(M2)	31225	37803	32698	26588	29386	30774	41398	35203	39211	29854	27126	38661
Norvaline 288(M3)	5085	6122	5317	4321	4827	5014	6747	5712	6369	4868	4388	6287
Ornithine474(M0)	38	39	35	32	34	27	36	41	40	24	23	22
Ornithine474(M1)	124	132	106	87	105	94	102	123	117	64	72	71
Ornithine474(M2)												
Ornithine474(M3)	42	48	37	30	31	31	112	103	105	46	19	29
Ornithine474(M4)	15	16	11	9	10	11	46	39	41	14	15	15
Ornithine474(M5)	26	39	28	3	4	0	43	33	44	4	6	5
Ornithine474(M6)	23	25	18	0	1	1	29	21	27	1	1	
Pyruvate(M0)	43766	51395	41045	67916	60620	60688	152241	126894	126358	138254	123593	170754
Pyruvate(M1)	5677	7098	7652	11863	9929	11880	22220	18786	15988	20836	19260	26264
Pyruvate(M2)	3969	5957	4075	9982	8747	9200	11899	9999	9666	15085	13441	18940
Pyruvate(M3)	29515	34779	25826	107367	85698	96422	74244	63609	57697	140972	128106	180651
Pyruvate(M4)	2749	3337	2349	9896	7691	8718	6594	5762	5196	12960	11378	16492
Serine390(M0)	220807	238713	198253	228371	203461	209675	248419	187869	219157	187877	174560	229288
Serine390(M1)	116884	126116	104842	163624	145968	149885	120477	90967	106465	121050	112603	148804
Serine390(M2)	72564	78342	65229	113103	100919	103721	73104	55063	64562	81214	75653	100136
Serine390(M3)	47484	50919	42366	154233	136573	140032	46888	35419	41243	102446	95720	126755
Serine390(M4)	14814	15966	13285	49081	43416	44623	14568	10959	12841	32436	30255	40314
Succinate(M0)	5726	6357	4871	12887	10822	10178	23855	17966	20058	24574	20733	29863
Succinate(M1)	1723	2049	1603	3536	3029	2902	5924	4466	5115	6308	5218	7813
Succinate(M2)	1544	1934	1518	3466	3106	3027	3320	2457	2952	4711	4018	6167
Succinate(M3)	611	780	626	1404	1281	1278	872	619	756	1474	1276	2025
Succinate(M4)	378	528	420	760	746	746	479	397	422	718	648	1016
Succinate(M5)	81	113	91	171	162	163	94	74	84	158	138	221
Threonine404(M0)	15458	14609	11967	28791	21596	25297	19004	11604	16105	19169	21183	27723
Threonine404(M1)	5437	5124	4194	10104	7552	8865	6642	4073	5642	6729	7399	9713
Threonine404(M2)	2610	2472	2019	4787	3612	4214	775	1967	2701	3823	4181	5389
Threonine404(M3)	601	581	476	1105	833	983	326	472	640	960	1035	1340
Threonine404(M4)	149	139	118	268	203	233	167	117	148	103	94	121
Threonine404(M5)	28	26	20	46	3	44	42	22	22	25	22	28
Urea(M0)	136939	168699	126708	215778	208457	216026	191526	141668	149097	194061	170334	266369
Urea(M1)	28314	35357	26686	44997	43163	45181	39870	29520	31039	40562	35515	55373
Urea(M2)												
Valine288(M0)	7465	9227	7686	8918	9112	9361	12276	8992	9366	9593	8853	13509
Valine288(M1)	1920	2369	1967	2275	2315	2380	3177	2308	2423	2448	2262	3445
Valine288(M2)	754	918	760	887	892	919	1231	900	944	967	883	1355
Valine288(M3)	123	153	129	148	144	155	208	142	152	163	148	229
Valine288(M4)	1	26	20	22	27	25	37	24	27	24	22	34
Valine288(M5)	10	1	1	2	1	10	1	9	10	2	2	1
Valine288(M6)	0	0			0	2		2	1	1	1	2
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
a-Ketoglutarate(M0)
a-Ketoglutarate(M1)
a-Ketoglutarate(M2)
a-Ketoglutarate(M3)
a-Ketoglutarate(M4)
a-Ketoglutarate(M5)
a-Ketoglutarate(M6)
Alanine260(M0)
Alanine260(M1)
Alanine260(M2)
Alanine260(M3)
Alanine260(M4)
Asparagine(M0)
Asparagine(M1)
Asparagine(M2)
Asparagine(M3)
Asparagine(M4)
Asparagine(M5)
Aspartate418(M0)
Aspartate418(M1)
Aspartate418(M2)
Aspartate418(M3)
Aspartate418(M4)
Aspartate418(M5)
Citrate459(M0)
Citrate459(M1)
Citrate459(M2)
Citrate459(M3)
Citrate459(M4)
Citrate459(M5)
Citrate459(M6)
Citrate459(M7)
Citrate591(M0)
Citrate591(M1)
Citrate591(M2)
Citrate591(M3)
Citrate591(M4)
Citrate591(M5)
Citrate591(M6)
Citrate591(M7)
Cysteine(M0)
Cysteine(M1)
Cysteine(M2)
Cysteine(M3)
Cysteine(M4)
Fumarate(M0)
Fumarate(M1)
Fumarate(M2)
Fumarate(M3)
Fumarate(M4)
Fumarate(M5)
GABA(M0)
GABA(M1)
GABA(M2)
GABA(M3)
GABA(M4)
GABA(M5)
Glutamate432(M0)
Glutamate432(M1)
Glutamate432(M2)
Glutamate432(M3)
Glutamate432(M4)
Glutamate432(M5)
Glutamate432(M6)
Isoleu-274(M0)
Isoleucine274(M0)
Isoleucine274(M1)
Isoleucine274(M2)
Isoleucine274(M3)
Isoleucine274(M4)
Isoleucine274(M5)
Isoleucine274(M6)
Isoleucine274(M7)
Itaconate(M0)
Itaconate(M1)
Itaconate(M2)
Itaconate(M3)
Itaconate(M4)
Itaconate(M5)
Itaconate(M6)
KIC(M0)
KIV(M0)
KMV(M0)
Lactate261(M0)
Lactate261(M1)
Lactate261(M2)
Lactate261(M3)
Lactate262(M4)
Malate(M0)
Malate(M1)
Malate(M2)
Malate(M3)
Malate(M4)
Malate(M5)
Methionine320(M0)
Methionine320(M1)
Methionine320(M2)
Methionine320(M3)
Methionine320(M4)
Methionine320(M5)
Methionine320(M6)
N-AcetylAspartate(M0)
N-AcetylAspartate(M1)
N-AcetylAspartate(M2)
N-AcetylAspartate(M3)
N-AcetylAspartate(M4)
N-AcetylAspartate(M5)
Norvaline 260(M0)
Norvaline 260(M1)
Norvaline 260(M2)
Norvaline 260(M3)
Norvaline 288(M0)
Norvaline 288(M1)
Norvaline 288(M2)
Norvaline 288(M3)
Ornithine474(M0)
Ornithine474(M1)
Ornithine474(M2)
Ornithine474(M3)
Ornithine474(M4)
Ornithine474(M5)
Ornithine474(M6)
Pyruvate(M0)
Pyruvate(M1)
Pyruvate(M2)
Pyruvate(M3)
Pyruvate(M4)
Serine390(M0)
Serine390(M1)
Serine390(M2)
Serine390(M3)
Serine390(M4)
Succinate(M0)
Succinate(M1)
Succinate(M2)
Succinate(M3)
Succinate(M4)
Succinate(M5)
Threonine404(M0)
Threonine404(M1)
Threonine404(M2)
Threonine404(M3)
Threonine404(M4)
Threonine404(M5)
Urea(M0)
Urea(M1)
Urea(M2)
Valine288(M0)
Valine288(M1)
Valine288(M2)
Valine288(M3)
Valine288(M4)
Valine288(M5)
Valine288(M6)
METABOLITES_END
#END