#METABOLOMICS WORKBENCH gunjan27_20241126_112739 DATATRACK_ID:5408 STUDY_ID:ST003597 ANALYSIS_ID:AN005908 PROJECT_ID:PR002225
VERSION             	1
CREATED_ON             	November 26, 2024, 4:48 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolic regulation of RNA methylation by the m6A-reader IGF2BP3
PR:PROJECT_SUMMARY               	The interplay of RNA modifications – deposited by “writers”, removed by
PR:PROJECT_SUMMARY               	“erasers” and identified by RNA binding proteins known as “readers” –
PR:PROJECT_SUMMARY               	forms the basis of the epitranscriptomic gene regulation hypothesis. Recent
PR:PROJECT_SUMMARY               	studies have identified the oncofetal RNA-binding protein IGF2BP3 as a
PR:PROJECT_SUMMARY               	“reader” of the N6-methyladenosine (m6A) modification and crucial for
PR:PROJECT_SUMMARY               	regulating gene expression. Here, we report the novel finding that the
PR:PROJECT_SUMMARY               	“reader” IGF2BP3 changes cellular metabolism, resulting in an altered
PR:PROJECT_SUMMARY               	ability of the “writers” to modify the epitranscriptome. Specifically, loss
PR:PROJECT_SUMMARY               	of IGF2BP3 caused a reduction in glycolytic flux and one-carbon metabolism,
PR:PROJECT_SUMMARY               	leading to decreased production of S-adenosyl methionine, a key substrate for
PR:PROJECT_SUMMARY               	methylation reactions within the cell.
PR:INSTITUTE                     	University of California, Los Angeles
PR:LAST_NAME                     	Rao
PR:FIRST_NAME                    	Dinesh S
PR:ADDRESS                       	12-272, Factor Building, 650 Charles E Young Drive, UCLA, USA 90095
PR:EMAIL                         	gunjansharma@mednet.ucla.edu
PR:PHONE                         	3108252548
#STUDY
ST:STUDY_TITLE                   	Metabolic regulation of RNA methylation by the m6A-reader IGF2BP3
ST:STUDY_SUMMARY                 	The interplay of RNA modifications – deposited by “writers”, removed by
ST:STUDY_SUMMARY                 	“erasers” and identified by RNA binding proteins known as “readers” –
ST:STUDY_SUMMARY                 	forms the basis of the epitranscriptomic gene regulation hypothesis. Recent
ST:STUDY_SUMMARY                 	studies have identified the oncofetal RNA-binding protein IGF2BP3 as a
ST:STUDY_SUMMARY                 	“reader” of the N6-methyladenosine (m6A) modification and crucial for
ST:STUDY_SUMMARY                 	regulating gene expression. Here, we report the novel finding that the
ST:STUDY_SUMMARY                 	“reader” IGF2BP3 changes cellular metabolism, resulting in an altered
ST:STUDY_SUMMARY                 	ability of the “writers” to modify the epitranscriptome. Specifically, loss
ST:STUDY_SUMMARY                 	of IGF2BP3 caused a reduction in glycolytic flux and one-carbon metabolism,
ST:STUDY_SUMMARY                 	leading to decreased production of S-adenosyl methionine, a key substrate for
ST:STUDY_SUMMARY                 	methylation reactions within the cell.
ST:INSTITUTE                     	University of California, Los Angeles
ST:LAST_NAME                     	Rao
ST:FIRST_NAME                    	Dinesh S
ST:ADDRESS                       	12-272, Factor Building, 650 Charles E Young Drive, UCLA, USA 90095
ST:EMAIL                         	gunjansharma@mednet.ucla.edu
ST:PHONE                         	3108252548
#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           	IMP3NT-Ctrl1_SEM	GS-001	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	RAW_FILE_NAME=GS-001
SUBJECT_SAMPLE_FACTORS           	IMP3NT-Ctrl1_SEM	GS-002	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	RAW_FILE_NAME=GS-002
SUBJECT_SAMPLE_FACTORS           	IMP3NT-Ctrl1_SEM	GS-003	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	RAW_FILE_NAME=GS-003
SUBJECT_SAMPLE_FACTORS           	IMP3-KO1_SEM	GS-004	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	RAW_FILE_NAME=GS-004
SUBJECT_SAMPLE_FACTORS           	IMP3-KO1_SEM	GS-005	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	RAW_FILE_NAME=GS-005
SUBJECT_SAMPLE_FACTORS           	IMP3-KO1_SEM	GS-006	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	RAW_FILE_NAME=GS-006
SUBJECT_SAMPLE_FACTORS           	IMP3NT2-Ctrl2_SEM	GS-007	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	RAW_FILE_NAME=GS-007
SUBJECT_SAMPLE_FACTORS           	IMP3NT2-Ctrl2_SEM	GS-008	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	RAW_FILE_NAME=GS-008
SUBJECT_SAMPLE_FACTORS           	IMP3NT2-Ctrl2_SEM	GS-009	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	RAW_FILE_NAME=GS-009
SUBJECT_SAMPLE_FACTORS           	IMP3-KO2_SEM	GS-010	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	RAW_FILE_NAME=GS-010
SUBJECT_SAMPLE_FACTORS           	IMP3-KO2_SEM	GS-011	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	RAW_FILE_NAME=GS-011
SUBJECT_SAMPLE_FACTORS           	IMP3-KO2_SEM	GS-012	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	RAW_FILE_NAME=GS-012
#COLLECTION
CO:COLLECTION_SUMMARY            	5e6 cells were collected, rinsed with PBS, and immediately extracted in 1 ml
CO:COLLECTION_SUMMARY            	ice-cold 80% methanol (Optima* LC/MS, Fisher Scientific). As an internal
CO:COLLECTION_SUMMARY            	standard, 1 µM norvaline (Sigma-Aldrich) was added to each sample. Samples were
CO:COLLECTION_SUMMARY            	then vortexed every 5 min, three times and clarified at top speed for 5 min at 4
CO:COLLECTION_SUMMARY            	°C. The supernatants was transferred to a new microcentrifuge tube and dried
CO:COLLECTION_SUMMARY            	overnight using a refrigerated CentriVap vacuum concentrator (LabConco).
CO:COLLECTION_SUMMARY            	Extracted metabolite samples were stored at -80°C. The insoluble pellets were
CO:COLLECTION_SUMMARY            	resuspended in 0.5 M NaOH for protein estimation.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Cells of the control and IGF2BP3 knocked out cell lines were plated in
TR:TREATMENT_SUMMARY             	triplicates and cultured in their regular culture medium without glucose but
TR:TREATMENT_SUMMARY             	supplemented with 13C6 Glucose (10 mM, Cambridge Isotope Laboratories, Inc.) for
TR:TREATMENT_SUMMARY             	24 hours prior to metabolite extraction.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Dried metabolites were resuspended in 100 µl 50% ACN:water and 5 µl was loaded
SP:SAMPLEPREP_SUMMARY            	onto a Luna 3µm NH2 100A (150 × 2.0 mm) column (Phenomenex). The
SP:SAMPLEPREP_SUMMARY            	chromatographic separation was performed on a Vanquish Flex (Thermo Scientific)
SP:SAMPLEPREP_SUMMARY            	with mobile phases A (5 mM NH4AcO pH 9.9) and B (ACN) and a flow rate of 200
SP:SAMPLEPREP_SUMMARY            	μl/min. A linear gradient from 15% A to 95% A over 18 min was followed by 7 min
SP:SAMPLEPREP_SUMMARY            	isocratic flow at 95% A and re-equilibration to 15% A. Metabolites were detected
SP:SAMPLEPREP_SUMMARY            	with a Thermo Scientific Q Exactive mass spectrometer run with polarity
SP:SAMPLEPREP_SUMMARY            	switching in full scan mode with an m/z range of 70-975 and 70.000 resolution.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Synergi Hydro RP 100 A (100 x 2mm,2.5um)
CH:SOLVENT_A                     	5 mM NH4AcO pH 9.9
CH:SOLVENT_B                     	100% Acetonitrile
CH:FLOW_GRADIENT                 	The chromatographic separation was performed on a Vanquish Flex (Thermo
CH:FLOW_GRADIENT                 	Scientific) with mobile phases A (5 mM NH4AcO pH 9.9) and B (ACN) and a flow
CH:FLOW_GRADIENT                 	rate of 200 μl/min. A linear gradient from 15% A to 95% A over 18 min was
CH:FLOW_GRADIENT                 	followed by 7 min isocratic flow at 95% A and re-equilibration to 15% A
CH:FLOW_RATE                     	0.2 mL/min
CH:COLUMN_TEMPERATURE            	27 ºC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Metabolites were detected with a Thermo Scientific Q Exactive mass spectrometer
MS:MS_COMMENTS                   	run with polarity switching in full scan mode with an m/z range of 70-975 and
MS:MS_COMMENTS                   	70.000 resolution.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	GS-001	GS-002	GS-003	GS-004	GS-005	GS-006	GS-007	GS-008	GS-009	GS-010	GS-011	GS-012
Factors	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	Sample source:Acute Lymphoblastic Leukemia | Genotype:WT | Treatment:Control	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout	Sample source:Acute Lymphoblastic Leukemia | Genotype:KO | Treatment:Knockout
2-Aminobutyrate C12 PARENT	1177131.38	2732114.75	2575847.25	1085132.5	2751349	1336596.38	2568050.75	2462585.75	2006716.75	1186754.13	2456380.75	1560738.63
5-Methylthioadenosine C12 PARENT	80584.61	921659.19	672714.63	469193.63	209721.48	121845.5	325892.09	195084.19	155575.33	86002.62	238790.64	141094.91
5-Methylthioadenosine C13-label-1	8095.05	120136.9	75963.07	53761.04	13240.23	13220.22	31185.02	10436.02	3043.85	9065.87	18333.09	5716.98
5-Methylthioadenosine C13-label-2	3121.55	69008.45	69401.31	31411.83	0	0	15331.29	8401.69	7189.76	0	4885.8	0
5-Methylthioadenosine C13-label-3	0	93640.9	74512.09	19885.53	6765.02	4066.08	7454.55	5012.38	4498.15	0	4542.97	0
5-Methylthioadenosine C13-label-4	27419.45	439412.13	314656.09	73138.75	28744.34	7481.52	85661.41	52145.59	42799.58	15268.3	48064.05	45586.11
5-Methylthioadenosine C13-label-5	570544.06	6279034	4417121.5	1250526.88	512350.72	294038.28	1203180.5	829309.31	578594.56	337972.25	760293.5	539542.19
5-Methylthioadenosine C13-label-6	164200.95	1763348.63	1181359.63	131990.3	43962.11	21682.5	204922.2	146486.14	102570.91	53900.39	136217.77	94602.51
5-Methylthioadenosine C13-label-7	42272.05	555234.56	387836.03	0	0	0	0	0	0	0	0	0
5-Methylthioadenosine C13-label-8	0	122163.85	83577.96	0	0	0	0	0	0	0	0	0
5-Methylthioadenosine C13-label-9	0	0	0	0	0	0	0	0	0	0	0	0
AMP C12 PARENT	1601827.63	600416.69	2547192.25	2547735.25	4561813	3979562	4116374	4227446	3752367.25	2202302.5	3658839.25	2268321.25
AMP C13-label-1	131186.58	72977.07	277098.84	249488.94	480207.75	413077.03	411731.09	427590.72	326839.47	256797.88	420511.84	229576.25
AMP C13-label-2	129059.95	45094.36	234003.63	125434.69	235087.67	232577.94	238971.08	273478.91	223940.02	147309.61	224658.52	156680.17
AMP C13-label-3	131173.61	37383.77	243990.06	151316.23	291174.78	228289.94	258697.5	237255.83	172967.17	136688.44	213967.13	120516.34
AMP C13-label-4	610496.5	222146.45	974389.56	379914.41	675582.06	585396.81	1084792.63	1082134.63	870360.25	482012.84	820127.31	537037.06
AMP C13-label-5	8442933	2950823.25	13739096	5413862.5	9347206	7997992	14664973	14522371	12658511	6867651.5	11834340	6570784
AMP C13-label-6	2351913.25	775935.75	3665930	507661.66	855837.31	725889.06	2357074.75	2202277.25	1818281	870538.19	1540503.88	914124.19
AMP C13-label-7	739345.25	262470.41	1236872.13	137580.17	236416.11	218698.08	701703.81	614002.44	473601.66	233430.95	412176.41	257733.88
AMP C13-label-8	210025.02	61289.77	247409.58	5662.53	19829.59	19940.34	94111.46	108810.18	36393	13460.26	31812.84	20469.97
Acetyl-CoA C12 PARENT	9639.81	3853.15	4812.62	10075.9	12098	13481.98	4811.74	4914.07	12382.58	11665.88	4099.39	5981.35
Acetyl-CoA C13-label-1	3085.15	933.2	1223.92	2692.1	4124.46	4093.87	1471.46	1614.82	4178.73	3148.43	1084.95	1278.53
Acetyl-CoA C13-label-2	13390.68	5458.61	7134.76	8159.93	10237.3	14979.25	6695.92	7483.58	13975.63	12393.01	5916.47	6079.23
Acetyl-CoA C13-label-3	4389.51	1117.59	2431.54	3074.7	4125.58	4419.22	1370.3	2039.84	4012.86	4240.48	1241.83	1933.34
Acetyl-CoA C13-label-4	3586.18	1579.4	2535.98	1466.15	2695.96	3928.93	1393.27	2111.22	4544.48	2934.62	1544.85	1649.55
Acetyl-CoA C13-label-5	45098.07	18950.78	22556.77	18376.82	19229.38	25624.16	13838.59	12940.96	32173.12	26178.8	11149.47	14241.48
Acetyl-CoA C13-label-6	26518.1	9240.06	12800.81	6853.72	7420.09	8204.41	6832.85	6608.88	14163.51	10279.06	5107.82	5968.82
Acetyl-CoA C13-label-7	60155.94	26141.04	34802.51	16196.78	17654.65	24434.39	19336.86	18348.87	34206.28	30918.75	12139.45	17729.53
Acetyl-CoA C13-label-8	23596.64	9003.53	13984.25	4153.69	4209.82	6443.29	5751.47	4428.41	5310.32	7657.64	2979.87	4799.17
Acetyl-CoA C13-label-9	9233	4277.24	4795.32	968.43	1143.32	1899.43	1690.16	1920.02	4028.58	1985.74	947.66	1567.28
Acetylcarnitine C12 PARENT	10689614	15257357	13963932	12472080	17067870	10389391	8223334	7699708	5281944.5	3541628	6333198	3967566
Acetylcarnitine C13-label-1	1127024.38	1778065.88	1544210.63	1193663.13	1795417.38	1064670	933616	771333.44	560917.56	385495.16	668707.81	466980.22
Acetylcarnitine C13-label-2	6012076.5	8441993	7669033.5	4372220.5	6260262	3694583	4384404.5	4015382.75	3088850.75	2444614.25	4468850	2401868.25
Acetylcarnitine C13-label-3	324443.88	495900	417557.81	208000.34	396947.19	132066.41	242749.38	215000.66	106345.91	28594.38	245242.91	119007.5
Adenine C12 PARENT	207101.83	2486588.25	512835.34	968533.5	360055.41	216930.7	582571.31	383610.91	369154.63	177300.7	450882.41	220948.63
Adenine C13-label-1	32667	626049.56	123002.08	68241.38	8666.18	3829.26	41669.63	20386.08	12192.46	0	24252.43	0
Adenine C13-label-2	0	183148.13	0	0	0	0	0	0	0	0	0	0
Adenine C13-label-3	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine C12 PARENT	121782.31	125933.94	19364.6	47772.53	227439	168956.95	206540.69	167928.36	178459.45	101482.93	163708.2	149628.91
Adenosine C13-label-4	29151.42	0	0	0	0	0	35545.39	42052.07	0	0	20805.92	23471.65
Adenosine C13-label-5	368664.78	114458.88	0	41620.45	334547.41	179349.45	430992.97	426503.66	331303.34	155914.89	357315.47	309883.72
Adenosine C13-label-6	93367.01	41364.74	0	0	34581.25	0	78015.81	67868.39	47071.63	0	44862.48	35861.96
Adenosine C13-label-7	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine C13-label-8	0	0	0	0	0	0	0	0	0	0	0	0
Alanine C12 PARENT	2943208	3261833.75	2960021.75	1685455	1715254.5	1238023.38	1923014	1832655.13	1340307	882108.69	1218535.38	1095105.63
Alanine C13-label-1	223806.31	341105.34	164455.7	74283.66	33887.16	0	92532.15	72955.98	28855.63	0	23134.31	27696.02
Alanine C13-label-2	2226786.75	2350516.75	2290433.25	578044	664846.25	445826.22	980185.25	788306.5	670603.75	252316.94	515035.41	438747.53
Alanine C13-label-3	50318028	60435652	53336220	14788153	13932691	10541357	19906994	19298548	14655288	8923799	12852844	10549235
Alanine Std	1640225.88	2077150.88	1674539.5	1430710.13	1853431.88	1262172.13	1640098	1603021.88	1012936.06	1119487	1477371.63	1579539.88
Arginine C12 PARENT	22269008	22992120	24749770	15862837	14771323	14759433	16458016	15279559	16796038	13233016	15915184	10439375
Arginine Std	5826764.5	5469619.5	6582574	5016134.5	5831721.5	5165253.5	5349395.5	5227914	4402366	4505080	6179121.5	5123114.5
CDP-choline C12 PARENT	63712.19	47469.39	70823.27	245732.27	275476.34	218884.25	61344.68	60587.79	68390.09	81326.55	115749	57878.77
CDP-choline C13-label-5	57816.26	64332.78	78821.66	29928.1	27136.31	22798.05	48321.96	48230.44	60691.19	79989.18	80328.01	34711.67
CDP-choline C13-label-6	8816.06	4599.92	12736.28	0	0	0	3251.33	0	3204.22	0	8693.31	0
CDP-choline C13-label-7	4222.66	5158.71	9501.06	0	0	0	2926.47	0	3930.94	7956.15	9974.61	0
Carnitine C12 PARENT	3832710	5949606	5424665.5	4608313	5611753.5	4390863	4512841.5	4396823.5	3693988.75	1795014.38	3309495.25	2312630.25
CoA C12 PARENT	75372.41	36596.62	60136.35	35035.25	54886.74	59636.16	73770.54	69871.57	60163.27	43110.72	56040.94	37915.25
CoA C13-label-1	18914.01	7739.43	14849.67	6750.93	12280.04	15442.98	17503.56	17121.61	12917.11	9489.8	11290.31	8288.43
CoA C13-label-2	10115	3772.9	7653.75	2793.71	5570.75	6216.41	7919.45	7266.54	7561.96	4924.4	6015.91	3947.52
CoA C13-label-3	4700.93	2056.86	5001.12	1305.8	3231.19	1990.47	4339.54	4706.74	3383.97	1965.07	2199.62	1769.51
CoA C13-label-4	17342.16	5686.68	13901.52	4178.34	6596.58	5283.36	12223.1	11313.64	9612.44	6592.69	7586.71	5981.6
CoA C13-label-5	225097.92	71670.13	181358.45	36972.7	69715.42	63549.55	143057.58	141725.38	118969.87	70695.12	99767.02	65933.76
CoA C13-label-6	92692.65	25569.63	71777.74	5734.96	16261.11	12963.47	44157.5	37489.22	29898.47	17440.51	24577.76	16632.21
CoA C13-label-7	35684.58	9660.36	28281.11	2370.26	5852.68	4184.85	16428.56	16003.61	12263.89	6497.82	8011.74	6404.59
CoA C13-label-8	10628.07	3270.45	10993.03	1866.12	1592.01	725.48	3987.96	4584.07	3633.81	1856.12	2677.18	2167.02
CoA C13-label-9	2705.96	313.63	2069.81	0	0	0	317.26	1139.01	220.41	221.41	145.39	0
Creatine C12 PARENT	567019328	586180160	669042880	204164992	440568192	204571584	348270464	337842848	200079888	209216256	227461136	197856656
Creatine C13-label-1	25973184	25619482	29512464	8916547	18771492	8467315	15221603	15087211	7969172	9181124	9819417	8171470.5
Creatine C13-label-2	32516906	33145560	37216284	3155227.75	9806521	4165143.75	10771843	9759720	4960936.5	4810238.5	5237835.5	5223399
Creatinine C12 PARENT	788273.69	1434872	1434012.38	466114.25	822101.31	513973.75	861907.13	794032.69	546211.69	251933.34	661433	379992.88
Creatinine C13-label-1	46031.47	82947.25	85989.35	35250.49	38820.58	34658.84	39727.04	52837.18	29553	22808.69	24116.04	21652.67
Creatinine C13-label-2	27771.18	39723.45	41386.21	0	0	0	0	0	0	0	0	0
Cystathionine C12 PARENT	6033199.5	5560730.5	4809747.5	452648.41	427985.75	384749.66	1095154.38	971014.69	696972.94	601927.44	627637.25	636665.25
Cystathionine C13-label-1	712460.5	674462.81	612792.31	45608.94	16794.51	19960.71	108813.91	84893.85	83901.26	34858.79	44379.86	36591.86
Cystathionine C13-label-2	221100	197149.14	156860.02	5671.96	0	0	14188.31	6714.46	0	0	0	4533.41
Cystathionine C13-label-3	360078.5	295147.38	283628.41	0	0	0	0	0	0	0	0	0
Cystathionine C13-label-4	69785.93	48091.2	55573.63	0	0	0	0	0	0	0	0	0
Cystine Std	0	0	0	0	0	0	0	0	0	0	0	0
Cytidine C12 PARENT	21440.26	30477.05	77236.88	108257.71	148234.8	105520.88	83989.43	106023.8	74113.7	33099.96	56638.73	85897.96
Cytidine C13-label-5	0	0	0	0	0	0	0	0	0	0	0	0
Cytosine C12 PARENT	359612.03	459942	532120.56	33697.65	10264.11	9269.33	222651.97	196863.67	101603.33	71484.41	100225.73	3796.54
Cytosine C13-label-2	104924.06	128324.88	129211.69	0	0	0	0	0	0	0	0	0
Cytosine C13-label-3	62001.81	76654.55	90962.46	0	0	0	0	0	0	0	0	0
Deoxyadenosine C12 PARENT	0	0	0	0	0	0	0	0	0	0	0	0
Deoxyadenosine C13-label-5	0	0	0	0	0	0	0	0	0	0	0	0
Deoxyadenosine C13-label-6	0	0	0	0	0	0	0	0	0	0	0	0
Deoxyadenosine C13-label-7	0	0	0	0	0	0	0	0	0	0	0	0
GABA C12 PARENT	2903447.25	2322770	2830526.25	3707819	5139129.5	5137642.5	4583614.5	3826175.75	4301528	3023017	3247059	2735345.25
Glutathione C12 PARENT	81065536	86445088	84975928	42793636	36726516	37207924	64475220	61201568	54953532	40961204	45979056	32835370
Glutathione C13-label-1	10839898	11330328	11258587	5883386.5	5051789.5	4966092	8125458.5	7637760.5	6888663.5	4847628.5	5815984	4060128.75
Glutathione C13-label-2	28944096	30066186	29482974	13298816	11060845	11473135	19344150	18329586	14977361	9970982	10594613	9187864
Glutathione C13-label-3	8037531.5	8122627.5	8202392	3963949.25	3538079.75	3532521	5651776.5	5161368.5	4219761.5	2808409.75	3231422.25	2659296.25
Glutathione C13-label-4	9973680	9754099	9580967	3949126.75	3350202	3472732.75	6438732	6040618.5	4718630	3247024.25	3518926.25	2838083.25
Glutathione C13-label-5	5225419.5	5323200.5	5144461.5	2027461.38	1776873.5	1591599.63	3616638.75	3149376.25	2439898	1766918.88	1999086.38	1536938.5
Glutathione C13-label-6	824466.56	913067.31	842930.94	235667.17	175168.61	210794.31	377298.72	350867.78	253961.2	156163.63	160823.75	166854.88
Glutathione C13-label-7	354495.47	314395.88	346366.47	50357.5	43313	21345.62	148282.3	106245.44	91749.04	38138.86	54161.06	38273.75
Glutathione disulfide C12 PARENT	4226683.5	5768511.5	3516145.25	2767548.25	2633631.5	2962402	3190948	3748608.25	3871509	2527622.75	2702904.25	2178077.25
Glutathione disulfide C13-label-1	1268522.88	1709380.5	1000059.06	852292.5	829485.5	930879.75	914698.19	1091167.13	1103035.13	705273.81	758477.44	609534.13
Glutathione disulfide C13-label-2	3016580.75	4023241.75	2661865.25	1784878.13	1671355	1883104.5	1912849.5	2277436.25	2173979.75	1320652.75	1392550.63	1235688
Glutathione disulfide C13-label-3	1422725.13	1521833.5	1127013.38	853206.44	782947.44	917704.31	811336.75	1009287.94	911853.56	543206.25	572102.81	518984.78
Glutathione disulfide C13-label-4	1645198.88	2132186.75	1312702.13	926388.75	824072	935558.94	917824.25	1142233	1013555	589004.38	666217.25	578781.81
Glutathione disulfide C13-label-5	1023278.56	1333309.13	794911.69	539631.94	499894.66	567649.56	607145.56	763656.31	626758.69	390937.91	407288.41	343040.44
Glutathione disulfide C13-label-6	563356.69	648341.81	478214.25	289454.59	267401.97	274781.38	305410.28	350355.34	265221.16	173311.83	191120.8	161064.28
Glutathione disulfide C13-label-7	384920.16	409742.5	274183.81	149562.13	146757.95	162894.22	165006.77	192854.2	193985.56	101468.73	102777.38	100547.69
Glutathione disulfide C13-label-8	164244.63	202108.13	117898.65	72260.88	36441.61	41105.27	61333.88	81089.9	53288.08	42092.84	17134.13	41687.96
Glutathione disulfide C13-label-9	92264.04	97044.34	36350.55	26088.29	28913.3	28485.6	29416.9	53297.78	19751.29	18034.52	13573.68	18175.26
Glycine C12 PARENT	17456078	20385742	19061738	9146301	9270852	9279452	13854733	12905472	12340177	7772075.5	10198122	8031749.5
Glycine C13-label-1	469112.16	510991.75	550601.5	215866.58	181028.3	159153.38	304702.5	303260.44	253266.45	103787.98	222478.33	115736.41
Glycine C13-label-2	2482384.25	2915685.75	3036785.25	526112.81	443734.53	561653.06	877651.31	710161.5	716846.25	350580.97	555929.56	438951.63
Glycine Std	181797.14	294423.78	296042.75	245966.27	275274.28	92352.57	217187.64	273776.59	158013.55	142644.92	284224.84	260435.45
Histidine C12 PARENT	61205504	54955664	52717660	25045534	24920408	25255338	40099648	32064922	40318812	26911274	30484954	22820874
Histidine Std	9530908	9070299	9607696	7028485.5	7757861.5	8346068.5	8813308	7720744.5	7164118.5	6765013.5	7698211.5	8200458
Hydroxyproline C12 PARENT	3836074.25	5708041.5	5538286.5	4745152	4225390.5	4242291.5	4981542.5	4195805.5	4794781.5	3693165.75	4327051	2754536.25
Isoleucine C12 PARENT	192119216	246543920	261510704	113307840	154841680	131218008	183494144	218970640	139997424	175127680	183814320	171595632
Leucine C12 PARENT	308069408	355681184	368123904	197539200	262994512	215840016	290902176	319712096	245336272	314766496	281584736	324891936
Leucine Std	15765485	22352584	22749376	14728127	24066544	17599898	23931768	24550522	15426128	19093734	23916744	27001514
Lysine C12 PARENT	4180620.75	4361327.5	4145840	2862138.75	2772269.75	3151850.75	2909692.75	3202817.25	3473962	2437164.75	2346522.75	1947982.63
Lysine Std	469443.41	488335.13	443382.66	447198.78	478332.84	466987.41	434948.03	443785.63	396742.5	339748.78	379976.84	336964.25
Methionine C12 PARENT	15620348	30007882	32790374	12225197	21908622	17636382	30214896	30832408	22102086	25351016	22469978	27341384
Methionine C13-label-1	1009495.75	1393022.63	1666413.38	726447.06	1204431.13	630978.69	1516306.5	1596582	1403992.38	1087816.88	1296374.25	1344648.88
Methionine C13-label-4	260025.98	667834	951441.06	120927.16	100227.34	71534.3	308615.47	377398.84	133584.98	138553.97	214458.27	292814.63
Methionine Std	3042202.75	7402711.5	6938780	4524338.5	8631603	5287482	8568257	8849527	5912677.5	5072729.5	8437170	9812683
NAD+ C12 PARENT	357779.63	357089.66	320818.25	207609.05	31545.3	27740.67	83156.55	92337.73	69993.34	56702.56	81321.04	37986.52
NAD+ C13-label-4	133433.73	138108.36	117425.5	103761.18	0	4532.63	68051.59	56576.28	41033.68	45746.2	57448.74	18292.6
NAD+ C13-label-5	1908812.38	1926334.13	1601477	1074270.13	152255.31	134674.39	729923.56	706411.06	609709.69	567679.31	678619	310566.72
NAD+ C13-label-6	398865.5	432275.97	344475.13	230138.5	22453.92	23700.51	148740.78	125671.56	119275.91	123418.56	149688.83	72505.51
NAD+ C13-label-7	264366.5	243147.06	224554.23	94423.81	9693.41	8236.68	83718.62	82531.63	72180.83	54834.76	69314.98	31316.23
NAD+ C13-label-8	260888.11	248097.36	218752.5	99118.66	0	5012.58	57866.35	71759.09	39081.04	63153.73	67439.04	28480.4
NAD+ C13-label-9	862007	824500.5	757306.25	231384.17	46600.8	18438.44	227401.88	231243.45	191553.73	157770.2	198729.58	102488.48
NAD+ C13-label-10	5755896.5	5891893.5	5084795.5	1392622.63	263167.66	174076.03	1494598.88	1537326	1212492.13	1141955	1276259.63	705685.19
NAD+ C13-label-11	1864673	1829078	1559380.5	248855.05	44621.66	38791.92	376722.16	347942.25	267300.66	229610.63	265610.09	159916.14
NAD+ C13-label-12	710653.44	657152.31	591355.44	72181.06	0	0	110380.71	96539.34	75141.7	77568.9	84047.09	49826.64
NAD+ C13-label-13	155478.28	166642.92	136402.73	0	0	0	0	0	0	0	0	0
NAD+ C13-label-14	11161.89	31701.46	16290.36	0	0	0	0	0	0	0	0	0
NADH C12 PARENT	14578.62	5114.98	6766.19	26304.07	0	0	25260.18	0	13994.31	16088.76	18675.59	0
NADH C13-label-4	6051.21	0	7978.7	4477.23	3244.66	0	14506.49	14474.01	13809.9	7950.95	6663.17	1901.57
NADH C13-label-5	105091.56	55197.42	83292.84	121287.55	43487.38	41705.36	174526.88	138931.69	142587.17	95321.8	142862.63	67427.58
NADH C13-label-6	27504.78	6075.99	10807.36	22493.52	3455.44	1884.08	33700.2	24804.04	29287.03	19901	28315.69	13158.76
NADH C13-label-7	11018.63	1748.1	5222.93	13142.63	0	0	12245.56	6388.06	21062.21	8288.61	18148.75	0
NADH C13-label-8	16532.29	8150.25	4556.01	11967.45	0	0	20994.95	9861.53	14879.65	7827.31	15993.11	5227.96
NADH C13-label-9	41041.06	18826.84	20712.7	22344.02	4004.72	5695.87	49241.97	40736.33	48410.96	25397.72	40975.35	16460.44
NADH C13-label-10	464207.84	167316.67	231671.52	157417.67	56590.73	55485.46	339239.63	251211.2	262816.41	219624.45	276231.63	120430.2
NADH C13-label-11	102848.71	54676.2	68481.52	25437.64	1934.75	7139.13	75281.07	55548.86	76155.05	43159.52	52968.54	19413.95
NADH C13-label-12	36336.94	13316.92	23942.44	3382.11	0	5873.1	23887.04	19695.21	20151.91	12895.48	10202.34	4621.51
NADH C13-label-13	4880.58	1811.23	0	0	0	0	0	0	1730.81	0	0	0
NADP+ C12 PARENT	52811.7	19365.74	39043.11	22439.83	5239.03	3022.04	12855.84	12321.7	8264.61	7354.99	9291.11	2353.19
NADP+ C13-label-4	17794.84	7719.62	12993.99	5983.14	2447.12	1515.59	8348.08	6559.94	5072.35	2019.74	4542.31	0
NADP+ C13-label-5	236613.58	105375.77	168559.19	100324.69	20391.83	15303.18	96317.84	88087.41	60195.98	43848.47	70160.45	14651.37
NADP+ C13-label-6	61090.97	23521.18	39944.32	22017.35	4244.22	2437.22	20445.26	16939.03	12875.88	8413.11	14487.67	2221.17
NADP+ C13-label-7	30013.08	13852.72	25979.39	8305.3	1677.86	816.28	10592.68	8211.83	6059.09	4279.19	7765.87	1319.47
NADP+ C13-label-8	31528.38	14350.95	24128.95	9325.5	665.31	1428.96	9750.74	8709.77	5668.81	3952.23	6455.53	2049
NADP+ C13-label-9	104734.69	45865.88	73583.16	17636.71	2391.37	1839.04	28432.16	23559.09	18504.55	11466.15	18504.3	4195.11
NADP+ C13-label-10	733655	326966	516064.28	132223.06	28365.51	22438.66	193690.64	158493.14	121709.26	74444.6	131026.96	31456.7
NADP+ C13-label-11	225203.48	105195	152646.48	25601.42	3806.74	2471.46	37833.53	35695.67	23543.68	16267	28345.51	5240.46
NADP+ C13-label-12	94072.21	40725.86	65709.91	4387.02	614.54	1013.84	16943.04	12466.75	8448.04	5639.76	8552.59	2076.65
NADP+ C13-label-13	22836.88	9142.33	17084.33	0	0	0	0	0	0	0	0	0
NADPH C12 PARENT	0	5025.92	2479.33	4534.42	0	0	0	0	0	0	0	0
NADPH C13-label-5	0	20572.87	14374.87	17092.35	0	0	0	0	0	0	0	0
NADPH C13-label-6	0	4331.76	3261.9	3743.54	0	0	0	0	0	0	0	0
NADPH C13-label-7	0	3325.58	2025.47	0	0	0	0	0	0	0	0	0
NADPH C13-label-9	0	9204.99	5443.27	3113.52	0	0	0	0	0	0	0	0
NADPH C13-label-10	0	58994.85	43681.5	21148.13	0	0	0	0	0	0	0	0
NADPH C13-label-11	0	17136.26	13671.17	3728.85	0	0	0	0	0	0	0	0
NADPH C13-label-12	0	6185.35	5271.8	0	0	0	0	0	0	0	0	0
NADPH C13-label-13	0	1586.5	1131.02	0	0	0	0	0	0	0	0	0
Nicotinamide C12 PARENT	53614592	50725280	134902416	57521484	189572624	176083728	155800704	159582688	128485704	97705256	114561048	124889048
Norvaline Std	6422088192	7752515072	6648994304	6787806720	7584802304	7761032704	6472728064	7322375680	8121898496	7172455936	6903510528	7381630976
Ornithine C12 PARENT	310582.16	394870.63	343486.56	221333.89	212247.14	240785.67	259194.2	238018.3	243112.94	203970.8	173472.81	165352.11
Phenylalanine C12 PARENT	126591768	262503632	232862416	66288800	120901312	59945836	172992336	160079552	129376608	71318056	129158360	101369624
Phenylalanine Std	9160347	23093936	22031132	9650633	20372422	8504012	21673900	20654018	13041552	9016531	19385294	18571222
Phosphocholine C12 PARENT	147330992	141296688	147543024	71592136	69402728	67708920	93982720	77140032	68041496	41541244	51712224	39866400
Phosphocreatine C12 PARENT	10585300	8481409	8018270.5	5982618.5	7133804	7267902	2229417.25	2405954.5	2904921.25	2411349.25	2333440	1423049.63
Phosphocreatine C13-label-1	430788.84	367613.47	334555.72	248999.83	298768.25	357538.5	114553.69	122256.29	124399.78	121040.09	66606.87	49508.32
Phosphocreatine C13-label-2	478210.53	403630.16	364546.66	148031.02	129668.73	138550.59	47608.76	51379.96	27757.87	29461.23	20844.79	34264.89
Proline C12 PARENT	187225072	427841504	401325824	78498520	141736160	126298688	276700000	230500304	188269520	119164456	146502272	128808040
Proline C13-label-1	15098304	33888828	32345338	6226626	11443459	7977278	18962740	16615716	12283457	6599330	10033026	8554221
Proline C13-label-3	16061851	37616764	34502976	5288900.5	8277964	6975720.5	19757508	15115243	12657825	5276069.5	8444263	7363060
Proline C13-label-4	23078178	48896588	44750288	6242506	10286019	8643049	26940912	21869750	17557190	8044889.5	12146337	11225301
Proline C13-label-5	13726037	30536000	27815882	3410046.75	5326332.5	4278550.5	16564547	13066379	11096979	5880517.5	7737742.5	6579188.5
Proline Std	4945043.5	12712773	11157835	6461639.5	12089961	10313251	13720435	12564391	9682085	9052797	12105068	12244225
Propanoyl-CoA C12 PARENT	4398.01	1034.82	3920.87	2787.99	3514.15	1240.52	1101.91	1405.4	2566.19	2321.83	656.45	1538.13
Propanoyl-CoA C13-label-5	16605.3	5561.31	15553.45	3840.4	4470.58	4260.23	3476.14	4672.11	7805.01	4958.13	2173.89	4682.31
Propanoyl-CoA C13-label-6	7606.32	2311.8	6421.43	346.59	1671.57	279.73	883.12	1673.29	2738.04	1152.61	677.31	1856.69
S-Adenosyl-L-methionine C12 PARENT	1263069.63	1051402.88	1175187.38	820036.75	1188626.63	1190375.13	1217335.38	1093123.13	1358583.63	841555.25	832813.19	588894.56
S-Adenosyl-L-methionine C13-label-1	234761.33	173101.42	187826.27	143156.94	198429.38	183522.36	193277.8	193110.06	244735.38	148152.08	137657.81	90648.31
S-Adenosyl-L-methionine C13-label-2	109473.19	95144.1	98223.62	40690.25	58955.09	59601.97	73675.09	67087.62	97751.59	53877.49	45021.65	32428.61
S-Adenosyl-L-methionine C13-label-3	142432.89	117392.59	136928.44	68871.04	69257.02	86400.87	86195.37	80617.25	109047.4	59101.39	61121.47	36302.77
S-Adenosyl-L-methionine C13-label-4	641888.69	438858.63	560686.19	184827.02	262328.38	243787.13	379511.34	330803	394370.78	213548.86	208209.05	148916.19
S-Adenosyl-L-methionine C13-label-5	8136732.5	6442656.5	7391995.5	2271439.75	3315275.75	3165985	4978974.5	4614350.5	5413711.5	3112088.75	3047207.25	2161174.75
S-Adenosyl-L-methionine C13-label-6	2959162.75	2314779.5	2519593.25	357369.91	492707.84	513721.84	1098857.5	1000711	1147087	517541.84	580757.63	433144.09
S-Adenosyl-L-methionine C13-label-7	886454	708703.19	771107.5	55493.32	71224.98	76046.93	242915.42	209908.88	245462.38	110767.79	102993.52	92013.6
S-Adenosyl-L-methionine C13-label-8	227835.33	178864	202176.63	5869.66	7454.05	5337.59	31468.73	41685.78	29772.29	6006.66	18148.52	12423.6
Succinyl-CoA C12 PARENT	4067.98	485.84	2666.37	1691.52	3689.9	4515.5	4305.91	3628.08	4456.81	1976.21	1479.91	1000.46
Succinyl-CoA C13-label-5	17522.91	2717.28	14960.48	3299.11	6111.76	6180.69	10034.33	7539.33	11489.01	5906.03	4665.77	2765.95
Succinyl-CoA C13-label-6	10288.26	875.03	7036.1	271.82	2135.58	2532.65	5497.32	3717.03	3674.32	2781.46	2130.84	1474.1
Succinyl-CoA C13-label-7	7476.33	0	3863.5	662.93	1244.41	680.3	2936.37	1352.15	2160.05	820.88	570.51	0
Threonine C12 PARENT	187846320	167072848	175975264	94815968	81742016	96237720	118295320	111416640	103796960	68810776	89370072	72515616
Threonine Std	2227900	2019938	2033976.38	1993277.13	2128025.25	2324584.75	1735865.5	2177624	1730645.63	1739539.88	2126785.25	2248298
Tryptophan C12 PARENT	16849706	37329020	37207600	12438021	20634634	15897561	30671166	27718586	27590598	17290858	23082234	19658866
Tyrosine C12 PARENT	137279984	145304128	148513808	76136240	74899672	68109824	100875432	90973160	95264728	75194344	81176040	50478912
Tyrosine Std	11621323	11791776	13644955	11147712	15324017	11249875	12830045	12712904	10683443	10473644	11761107	10472401
Valine Std	949529.69	2069913.5	2064070	1150657.13	1632288	1224299.88	1913034.38	2002924.38	1077478	1459444.63	1842526.63	1981015.88
g-GluCys C12 PARENT	63208.02	55797.41	97954.85	0	0	11494.22	55544.39	24953.6	41619.09	22019.13	35472.57	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG.ID
2-Aminobutyrate C12 PARENT	C02356
5-Methylthioadenosine C12 PARENT	C00170
5-Methylthioadenosine C13-label-1	C00170
5-Methylthioadenosine C13-label-2	C00170
5-Methylthioadenosine C13-label-3	C00170
5-Methylthioadenosine C13-label-4	C00170
5-Methylthioadenosine C13-label-5	C00170
5-Methylthioadenosine C13-label-6	C00170
5-Methylthioadenosine C13-label-7	C00170
5-Methylthioadenosine C13-label-8	C00170
5-Methylthioadenosine C13-label-9	C00170
AMP C12 PARENT	C00020
AMP C13-label-1	C00020
AMP C13-label-2	C00020
AMP C13-label-3	C00020
AMP C13-label-4	C00020
AMP C13-label-5	C00020
AMP C13-label-6	C00020
AMP C13-label-7	C00020
AMP C13-label-8	C00020
Acetyl-CoA C12 PARENT	C00024
Acetyl-CoA C13-label-1	C00024
Acetyl-CoA C13-label-2	C00024
Acetyl-CoA C13-label-3	C00024
Acetyl-CoA C13-label-4	C00024
Acetyl-CoA C13-label-5	C00024
Acetyl-CoA C13-label-6	C00024
Acetyl-CoA C13-label-7	C00024
Acetyl-CoA C13-label-8	C00024
Acetyl-CoA C13-label-9	C00024
Acetylcarnitine C12 PARENT	C02571
Acetylcarnitine C13-label-1	C02571
Acetylcarnitine C13-label-2	C02571
Acetylcarnitine C13-label-3	C02571
Adenine C12 PARENT	C00147
Adenine C13-label-1	C00147
Adenine C13-label-2	C00147
Adenine C13-label-3	C00147
Adenosine C12 PARENT	C00212
Adenosine C13-label-4	C00212
Adenosine C13-label-5	C00212
Adenosine C13-label-6	C00212
Adenosine C13-label-7	C00212
Adenosine C13-label-8	C00212
Alanine C12 PARENT	C00041
Alanine C13-label-1	C00041
Alanine C13-label-2	C00041
Alanine C13-label-3	C00041
Alanine Std	C00041
Arginine C12 PARENT	C00062
Arginine Std	C00062
CDP-choline C12 PARENT	C00307
CDP-choline C13-label-5	C00307
CDP-choline C13-label-6	C00307
CDP-choline C13-label-7	C00307
Carnitine C12 PARENT	C00318
CoA C12 PARENT	C00010
CoA C13-label-1	C00010
CoA C13-label-2	C00010
CoA C13-label-3	C00010
CoA C13-label-4	C00010
CoA C13-label-5	C00010
CoA C13-label-6	C00010
CoA C13-label-7	C00010
CoA C13-label-8	C00010
CoA C13-label-9	C00010
Creatine C12 PARENT	C00300
Creatine C13-label-1	C00300
Creatine C13-label-2	C00300
Creatinine C12 PARENT	C00791
Creatinine C13-label-1	C00791
Creatinine C13-label-2	C00791
Cystathionine C12 PARENT	C02291
Cystathionine C13-label-1	C02292
Cystathionine C13-label-2	C02293
Cystathionine C13-label-3	C02294
Cystathionine C13-label-4	C02295
Cystine Std	C00491
Cytidine C12 PARENT	D07769
Cytidine C13-label-5	D07769
Cytosine C12 PARENT	C00380
Cytosine C13-label-2	C00380
Cytosine C13-label-3	C00380
Deoxyadenosine C12 PARENT	C00559
Deoxyadenosine C13-label-5	C00559
Deoxyadenosine C13-label-6	C00559
Deoxyadenosine C13-label-7	C00559
GABA C12 PARENT	C00334
Glutathione C12 PARENT	C00051
Glutathione C13-label-1	C00051
Glutathione C13-label-2	C00051
Glutathione C13-label-3	C00051
Glutathione C13-label-4	C00051
Glutathione C13-label-5	C00051
Glutathione C13-label-6	C00051
Glutathione C13-label-7	C00051
Glutathione disulfide C12 PARENT	C00127
Glutathione disulfide C13-label-1	C00127
Glutathione disulfide C13-label-2	C00127
Glutathione disulfide C13-label-3	C00127
Glutathione disulfide C13-label-4	C00127
Glutathione disulfide C13-label-5	C00127
Glutathione disulfide C13-label-6	C00127
Glutathione disulfide C13-label-7	C00127
Glutathione disulfide C13-label-8	C00127
Glutathione disulfide C13-label-9	C00127
Glycine C12 PARENT	C00037
Glycine C13-label-1	C00037
Glycine C13-label-2	C00037
Glycine Std	C00037
Histidine C12 PARENT	C00135
Histidine Std	C00135
Hydroxyproline C12 PARENT	C01157
Isoleucine C12 PARENT	C00407
Leucine C12 PARENT	C00123
Leucine Std	C00123
Lysine C12 PARENT	C00047
Lysine Std	C00047
Methionine C12 PARENT	C00073
Methionine C13-label-1	C00073
Methionine C13-label-4	C00073
Methionine Std	C00073
NAD+ C12 PARENT	C00003
NAD+ C13-label-4	C00003
NAD+ C13-label-5	C00003
NAD+ C13-label-6	C00003
NAD+ C13-label-7	C00003
NAD+ C13-label-8	C00003
NAD+ C13-label-9	C00003
NAD+ C13-label-10	C00003
NAD+ C13-label-11	C00003
NAD+ C13-label-12	C00003
NAD+ C13-label-13	C00003
NAD+ C13-label-14	C00003
NADH C12 PARENT	C00004
NADH C13-label-4	C00004
NADH C13-label-5	C00004
NADH C13-label-6	C00004
NADH C13-label-7	C00004
NADH C13-label-8	C00004
NADH C13-label-9	C00004
NADH C13-label-10	C00004
NADH C13-label-11	C00004
NADH C13-label-12	C00004
NADH C13-label-13	C00004
NADP+ C12 PARENT	C00006
NADP+ C13-label-4	C00006
NADP+ C13-label-5	C00006
NADP+ C13-label-6	C00006
NADP+ C13-label-7	C00006
NADP+ C13-label-8	C00006
NADP+ C13-label-9	C00006
NADP+ C13-label-10	C00006
NADP+ C13-label-11	C00006
NADP+ C13-label-12	C00006
NADP+ C13-label-13	C00006
NADPH C12 PARENT	C00005
NADPH C13-label-5	C00005
NADPH C13-label-6	C00005
NADPH C13-label-7	C00005
NADPH C13-label-9	C00005
NADPH C13-label-10	C00005
NADPH C13-label-11	C00005
NADPH C13-label-12	C00005
NADPH C13-label-13	C00005
Nicotinamide C12 PARENT	C00153
Norvaline Std	C01826
Ornithine C12 PARENT	C00077
Phenylalanine C12 PARENT	C00079
Phenylalanine Std	C00079
Phosphocholine C12 PARENT	C00588
Phosphocreatine C12 PARENT	C02305
Phosphocreatine C13-label-1	C02305
Phosphocreatine C13-label-2	C02305
Proline C12 PARENT	C00148
Proline C13-label-1	C00148
Proline C13-label-3	C00148
Proline C13-label-4	C00148
Proline C13-label-5	C00148
Proline Std	C00148
Propanoyl-CoA C12 PARENT	C00100
Propanoyl-CoA C13-label-5	C00100
Propanoyl-CoA C13-label-6	C00100
S-Adenosyl-L-methionine C12 PARENT	C00019
S-Adenosyl-L-methionine C13-label-1	C00019
S-Adenosyl-L-methionine C13-label-2	C00019
S-Adenosyl-L-methionine C13-label-3	C00019
S-Adenosyl-L-methionine C13-label-4	C00019
S-Adenosyl-L-methionine C13-label-5	C00019
S-Adenosyl-L-methionine C13-label-6	C00019
S-Adenosyl-L-methionine C13-label-7	C00019
S-Adenosyl-L-methionine C13-label-8	C00019
Succinyl-CoA C12 PARENT	C00091
Succinyl-CoA C13-label-5	C00091
Succinyl-CoA C13-label-6	C00091
Succinyl-CoA C13-label-7	C00091
Threonine C12 PARENT	C00188
Threonine Std	C00188
Tryptophan C12 PARENT	C00078
Tyrosine C12 PARENT	C00082
Tyrosine Std	C00082
Valine Std	C00183
g-GluCys C12 PARENT	C00669
METABOLITES_END
#END