#METABOLOMICS WORKBENCH WXIAOLAB_20230807_091801 DATATRACK_ID:4207 STUDY_ID:ST003454 ANALYSIS_ID:AN005675 PROJECT_ID:PR002128
VERSION             	1
CREATED_ON             	September 4, 2024, 6:31 am
#PROJECT
PR:PROJECT_TITLE                 	Aerobic activation of hypoxia-inducible factor 1alpha in vascular cells.
PR:PROJECT_SUMMARY               	This project aims to delineate the possible mediators of aerobic activation of
PR:PROJECT_SUMMARY               	HIF1alpha in normal primary cells and its biological consequences related to
PR:PROJECT_SUMMARY               	pulmonary vascular pathobiology.
PR:INSTITUTE                     	Peking University
PR:DEPARTMENT                    	Department of Toxicology
PR:LABORATORY                    	WXIAO
PR:LAST_NAME                     	Xiao
PR:FIRST_NAME                    	Wusheng
PR:ADDRESS                       	38 Xueyuan Rd, Haidian District, Beijing, Beijing, 100191, China
PR:EMAIL                         	wxiao@bjmu.edu.cn
PR:PHONE                         	+1-010-82801628
#STUDY
ST:STUDY_TITLE                   	Branched chain alpha-ketoacids impact pulmonary artery smooth muscle cell
ST:STUDY_TITLE                   	metabolism
ST:STUDY_SUMMARY                 	Hypoxia-inducible factor 1α (HIF1α) is a master regulator of biological
ST:STUDY_SUMMARY                 	processes in hypoxia. Yet, the mechanisms and biological consequences of aerobic
ST:STUDY_SUMMARY                 	HIF1α activation by intrinsic factors, particularly in normal (primary) cells,
ST:STUDY_SUMMARY                 	remain elusive. Here, we show that HIF1α signalling is activated in several
ST:STUDY_SUMMARY                 	human primary vascular cells in normoxia, and in vascular smooth muscle cells
ST:STUDY_SUMMARY                 	(VSMCs) of normal human lungs. Mechanistically, aerobic HIF1α activation is
ST:STUDY_SUMMARY                 	mediated by paracrine secretion of three branched chain α-ketoacids (BCKAs),
ST:STUDY_SUMMARY                 	which suppress PHD2 activity via direct inhibition and via LDHA-mediated
ST:STUDY_SUMMARY                 	generation of L-2-hydroxyglutarate. BCKA-mediated HIF1α signalling activation
ST:STUDY_SUMMARY                 	stimulated glycolytic activity and governed a phenotypic switch of pulmonary
ST:STUDY_SUMMARY                 	artery SMCs, which correlated with BCKA metabolic dysregulation and
ST:STUDY_SUMMARY                 	pathophenotypic changes in pulmonary arterial hypertension patients and male rat
ST:STUDY_SUMMARY                 	models. We thus identify BCKAs as novel signalling metabolites that aerobically
ST:STUDY_SUMMARY                 	activate HIF1α and that the BCKA-HIF1α pathway modulates VSMC function, an
ST:STUDY_SUMMARY                 	effect that may be relevant to pulmonary vascular pathobiology.
ST:INSTITUTE                     	Peking University
ST:DEPARTMENT                    	Department of Toxicology
ST:LAST_NAME                     	Xiao
ST:FIRST_NAME                    	Wusheng
ST:ADDRESS                       	38 Xueyuan Rd, Haidian District, Beijing, Beijing, 100191, China
ST:EMAIL                         	wxiao@bjmu.edu.cn
ST:PHONE                         	+1-010-82801628
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and female
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	1	Ctrl 01	Treatment:control | Sample source:Vascular smooth muscle cells
SUBJECT_SAMPLE_FACTORS           	2	Ctrl 02	Treatment:control | Sample source:Vascular smooth muscle cells
SUBJECT_SAMPLE_FACTORS           	3	Ctrl 03	Treatment:control | Sample source:Vascular smooth muscle cells
SUBJECT_SAMPLE_FACTORS           	4	Ctrl 04	Treatment:control | Sample source:Vascular smooth muscle cells
SUBJECT_SAMPLE_FACTORS           	5	Ctrl 05	Treatment:control | Sample source:Vascular smooth muscle cells
SUBJECT_SAMPLE_FACTORS           	6	Ctrl 06	Treatment:control | Sample source:Vascular smooth muscle cells
SUBJECT_SAMPLE_FACTORS           	7	BCKAs 01	Treatment:BCKAs | Sample source:Vascular smooth muscle cells	
SUBJECT_SAMPLE_FACTORS           	8	BCKAs 02	Treatment:BCKAs | Sample source:Vascular smooth muscle cells
SUBJECT_SAMPLE_FACTORS           	9	BCKAs 03	Treatment:BCKAs | Sample source:Vascular smooth muscle cells	
SUBJECT_SAMPLE_FACTORS           	10	BCKAs 04	Treatment:BCKAs | Sample source:Vascular smooth muscle cells	
SUBJECT_SAMPLE_FACTORS           	11	BCKAs 05	Treatment:BCKAs | Sample source:Vascular smooth muscle cells
SUBJECT_SAMPLE_FACTORS           	12	BCKAs 06	Treatment:BCKAs | Sample source:Vascular smooth muscle cells	
#COLLECTION
CO:COLLECTION_SUMMARY            	intracellular metabolites were collected and stored at -80 degree before LC-MS
CO:COLLECTION_SUMMARY            	analysis.
CO:SAMPLE_TYPE                   	Vascular smooth muscle cells
CO:COLLECTION_METHOD             	-80 C precold 80% LC-MS grade methanol was used to collect cell metabolites by
CO:COLLECTION_METHOD             	scraping and centrifugation
CO:COLLECTION_LOCATION           	on dry ice
CO:COLLECTION_DURATION           	1 min
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_TUBE_TEMP          	-100 C
CO:TISSUE_CELL_IDENTIFICATION    	Pulmonary artery smooth muscle cells
#TREATMENT
TR:TREATMENT_SUMMARY             	human pulmonary artery smooth muscle cells were treated with branched chain
TR:TREATMENT_SUMMARY             	alpha-ketoacids at 50-100 micromolar concentration for 8 hours.
TR:TREATMENT_COMPOUND            	branched chain alpha-ketoacids KIC, KIV, and KMV
TR:TREATMENT_ROUTE               	addition to medium
TR:TREATMENT_DOSE                	50-100 uM
TR:TREATMENT_DOSEDURATION        	8 hours
TR:TREATMENT_VEHICLE             	water
TR:CELL_GROWTH_CONTAINER         	75 cm flasks
TR:CELL_GROWTH_CONFIG            	1200 rpm
TR:CELL_GROWTH_RATE              	30-40 hours
TR:CELL_MEDIA                    	Complete vascular smooth muscle cell growth medium supplemented with growth
TR:CELL_MEDIA                    	factors and 5% FBS
TR:CELL_ENVIR_COND               	37 C and 5% CO2
TR:CELL_PCT_CONFLUENCE           	70-80%
TR:CELL_MEDIA_LASTCHANGED        	Every 48 hours
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	PASMCs were quickly washed with two volumes of ice-cold PBS, lysed for 15 min in
SP:SAMPLEPREP_SUMMARY            	pre-chilled 80% liquid chromatography-mass spectrometry (LC-MS)-grade methanol,
SP:SAMPLEPREP_SUMMARY            	and harvested by scraping on dry ice followed by centrifugation at maximal speed
SP:SAMPLEPREP_SUMMARY            	for 30 min at 4°C. For medium samples, 50 μL of medium were incubated in 200
SP:SAMPLEPREP_SUMMARY            	μL of pre-cooled 100% LC-MS-grade methanol for 15 min on dry ice and then
SP:SAMPLEPREP_SUMMARY            	centrifuged as cell samples did. The supernatants of cell and medium samples
SP:SAMPLEPREP_SUMMARY            	were collected and evaporated to dryness on an Integrated SpeedVac System
SP:SAMPLEPREP_SUMMARY            	(Thermo Fisher Scientific; Waltham, MA) at 42°C. The resulting pellets were
SP:SAMPLEPREP_SUMMARY            	resuspended in 50 μL of LC-MS-grade water. Twenty microliters of sample were
SP:SAMPLEPREP_SUMMARY            	loaded in an autosampler vial for analysis.
SP:PROCESSING_STORAGE_CONDITIONS 	Described in summary
SP:EXTRACT_STORAGE               	Described in summary
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	LC-MS analysis was performed on a Vanquish ultra-high performance liquid
CH:CHROMATOGRAPHY_SUMMARY        	chromatography system coupled to a Q Exactive mass spectrometer (Thermo Fisher
CH:CHROMATOGRAPHY_SUMMARY        	Scientific) that was equipped with an Ion Max source and HESI II probe.
CH:CHROMATOGRAPHY_SUMMARY        	metabolites were separated using a ZIC-pHILIC stationary phase (150 mm × 2.1 mm
CH:CHROMATOGRAPHY_SUMMARY        	× 3.5 mm; Merck) with a guard column. Mobile phase A contained 20 mM ammonium
CH:CHROMATOGRAPHY_SUMMARY        	carbonate and 0.1% ammonium hydroxide. Mobile phase B was acetonitrile. The
CH:CHROMATOGRAPHY_SUMMARY        	mobile phase flow rate was 100 μL/min and gradient (%B) was 0 min, 80%; 20 min,
CH:CHROMATOGRAPHY_SUMMARY        	20%; 20.5 min, 80%; 28 min, 80%; and 42 min, stop. The column effluent was
CH:CHROMATOGRAPHY_SUMMARY        	introduced into the mass spectrometer with the following ionization source
CH:CHROMATOGRAPHY_SUMMARY        	settings: sheath gas 40, auxiliary gas 15, sweep gas 1, spray voltage +3.0 or
CH:CHROMATOGRAPHY_SUMMARY        	-3.1 kV, capillary temperature 275°C, S-lens RF level 40, and probe temperature
CH:CHROMATOGRAPHY_SUMMARY        	350°C. The mass spectrometer was operated in polarity-switching full scan mode
CH:CHROMATOGRAPHY_SUMMARY        	from 70-1000 m/z. Resolution was set to 70,000, and the AGC target was 1×106
CH:CHROMATOGRAPHY_SUMMARY        	ions. Data were acquired and analyzed using TraceFinder 4.1 (Thermo) with peak
CH:CHROMATOGRAPHY_SUMMARY        	identifications based on an in-house library of authentic metabolite standards
CH:CHROMATOGRAPHY_SUMMARY        	previously analyzed utilizing this method. Missing values were imputed using
CH:CHROMATOGRAPHY_SUMMARY        	random forest. Sample peak areas were normalized using probabilistic quotient
CH:CHROMATOGRAPHY_SUMMARY        	normalization.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Merck ZIC-pHILIC(150 mm × 2.1 mm,3.5um)
CH:SOLVENT_A                     	100% water; 20 mM ammonium carbonate; 0.1% ammonium hydroxide
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	gradient (%B) was 0 min, 80%; 20 min, 20%; 20.5 min, 80%; 28 min, 80%; and 42
CH:FLOW_GRADIENT                 	min
CH:FLOW_RATE                     	100
CH:COLUMN_TEMPERATURE            	4
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Focus
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	MALDI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The mass spectrometer was operated in polarity-switching full scan mode from
MS:MS_COMMENTS                   	70-1000 m/z. Resolution was set to 70,000, and the AGC target was 1×106 ions.
MS:MS_COMMENTS                   	Data were acquired and analyzed using TraceFinder 4.1 (Thermo) with peak
MS:MS_COMMENTS                   	identifications based on an in-house library of authentic metabolite standards
MS:MS_COMMENTS                   	previously analyzed utilizing this method. Missing values were imputed using
MS:MS_COMMENTS                   	random forest. Sample peak areas were normalized using probabilistic quotient
MS:MS_COMMENTS                   	normalization
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	ion intensity
MS_METABOLITE_DATA_START
Samples	Ctrl 01	Ctrl 02	Ctrl 03	Ctrl 04	Ctrl 05	Ctrl 06	BCKAs 01	BCKAs 02	BCKAs 03	BCKAs 04	BCKAs 05	BCKAs 06
Factors	Treatment:control | Sample source:Vascular smooth muscle cells
	Treatment:control | Sample source:Vascular smooth muscle cells
	Treatment:control | Sample source:Vascular smooth muscle cells
	Treatment:control | Sample source:Vascular smooth muscle cells
	Treatment:control | Sample source:Vascular smooth muscle cells
	Treatment:control | Sample source:Vascular smooth muscle cells
	Treatment:BCKAs | Sample source:Vascular smooth muscle cells	Treatment:BCKAs | Sample source:Vascular smooth muscle cells
	Treatment:BCKAs | Sample source:Vascular smooth muscle cells	Treatment:BCKAs | Sample source:Vascular smooth muscle cells	Treatment:BCKAs | Sample source:Vascular smooth muscle cells
	Treatment:BCKAs | Sample source:Vascular smooth muscle cells
oleate	88800.91439	27588.56763	46970.7729	57382.37029	52003.21934	124947.7194	149826.3009	41193.96772	65319.67705	70776.65908	95568.87317	117274.3456
stearate	3644665.233	166715.9056	549801.0613	712879.8163	159039.3147	4470385.933	5630927.722	173248.0239	687784.9256	682789.4704	255805.0328	4415549.413
ketoleucine	3097502.459	1149790.763	2362236.996	1944796.635	2638198.265	2856260.821	17087227.11	5131546.946	10590865.76	8598213.225	9167572.666	10791707.98
methylthioadenosine	765290.6543	420742.1588	1680326.259	1445460.138	1470741.841	1433342.259	1204342.968	439798.801	1724347.345	1010007.497	1103048.427	995055.7576
niacinamide	35569614.71	13297765.09	30969056.15	25044390.77	28306387.94	21673481.59	40558515.3	14332479.64	29269815.42	23805745.56	20131497.96	25808080.14
pyridoxine	22261065.65	8376509.036	18267902.43	15313796.12	18879953.09	17038093.57	23636996.76	9125945.066	16937741.4	14526617.32	15706218.84	19389737.2
butyrylcarnitine	1457017.349	374974.569	1417166.532	1527520.422	1040041.176	791152.2991	1780008.742	597542.7053	1828042.873	1704418.442	1236559.998	1089694.868
2-hydroxybutyrate	28317.24469	7705.560383	18050.31864	17833.08728	20595.85194	19060.06654	29692.03554	13066.1763	23836.96938	18350.87815	23826.24703	22005.53387
pantothenate	68974900.45	27926751.56	61414738.72	63682406.04	75115445.69	61776514.84	76180042.44	33471139.31	64824604.34	61870316.64	65021336.79	68115198.4
pyruvate	988403.4038	262776.9387	431207.5433	321897.7353	572342.4784	405308.0639	1176487.383	229449.3812	517640.2871	414709.8773	490781.492	813078.7393
acetylalanine	197007.452	67499.15475	216689.7615	241852.9607	218796.4774	172537.8115	235469.1824	89120.97261	245991.5006	234849.4335	211720.7813	182446.9124
propionylcarnitine	2778406.711	765310.1297	1978148.245	2006382.331	1719768.419	1706159.436	3322659.836	1121859.349	2791733.095	2436641.68	2067806.227	2182734.997
creatinine	9479750.701	2869081.436	7337856.692	6546806.663	7543814.132	5887876.174	10697988.58	3403758.125	7209228.237	6323582.36	6026659.503	6763010.065
phenylalanine	37665163.24	16379462.05	40171983.54	35422956.66	39178741.68	30774379.59	51450078.43	26966836.06	49049887.1	45397577.37	44454882.87	44259989.51
hypoxanthine	802333.5188	300343.6114	665425.9366	634301.6086	754221.8015	469044.8663	1080411.086	1220672.545	820195.7498	843833.1231	788254.3786	786616.8211
lactate	12390514.83	4316131.253	14119910.33	12232850.02	11940102.12	9828899.687	15414624.74	5722662.641	13473895.99	12626597.6	11305383.54	12896866.03
glycerol	182653.9274	20516.04447	35378.75469	24233.13272	41920.87758	101473.0847	459246.9634	34502.8138	40556.86753	35485.96997	23729.99484	156472.8813
kynurenine	84183.04931	37207.99489	79512.93449	88194.21138	91495.73364	38778.64442	113952.9639	61190.49414	115108.8526	97549.86827	99165.10763	56147.57873
leucine	120860979.4	58474090.01	132129285.2	118698180.2	139535006	109205239.2	173287824.3	85721224.51	166778686.4	151781384.6	149172197.9	146498529.4
orotate	12004.40714	7539.286166	41625.00099	41353.15916	33654.93358	29355.85159	16292.57789	7066.433669	21771.14617	39730.95037	15584.3025	8422.451169
o-acetylcarnitine	18265812.45	6098227.055	18516105.36	17759130.36	16498201.33	11801663.16	18402218.85	5540154.143	16389637.83	14695922.54	12710954.46	10442854.71
acetylglutamine	35193.68664	17676.3343	49200.1701	47437.60787	54089.55635	51703.84538	53746.33157	24899.77895	53333.99676	55463.65647	52600.94119	47698.83047
betaine	5684131.907	2522475.291	5895395.051	5831564.355	6284631.476	5078782.393	6506068.775	2835248.053	6235815.538	5952360.889	5764788.726	5579057.105
tryptophan	1706529.25	837004.0579	1776107.297	1573872.696	2064411.64	1767758.95	2366271.153	1324646.707	2232017.504	2053516.637	2200964.679	2448479.192
xanthine	417068.4454	227889.9224	480287.7821	491351.3364	514798.1693	389911.0026	462304.6128	225620.913	490598.504	437563.0199	519755.0996	417150.6965
glycerate	50876.9964	25393.19987	68809.44625	52686.01633	62325.15258	55655.59786	69356.7298	35963.35547	75291.49103	63293.07474	64650.80754	60203.75059
valine	42279928.36	20213977.04	44715239.17	40603197.74	46219199.82	37655685.73	59632977.89	31042449.33	52662504.1	49130898.1	51474061.74	47518362.89
proline	181684370.1	79867409.44	233180223.9	230880837.2	225054613.7	177660578.7	241670755.6	114603744.1	263697818.3	238723207.5	230810092.4	193314269.2
acetylcholine	3977770.487	1545132.541	4602955.576	4677413.384	4063117.029	3286061.268	4960701.46	2025133.848	5095185.022	4576180.725	4442644.739	3487759.369
tyrosine	4435151.691	2257313.636	5171630.257	4552048.637	5100746.596	4189530.504	6251707.957	3557072.969	5897000.627	5362547.923	5685635.745	5151177.89
fructose	137747.7557	99181.02292	118143.2148	85329.68672	96688.18523	57996.27211	131631.0511	44351.71621	86136.93111	83761.67184	83366.24673	89039.25003
carnitine	9626537.432	3358882.903	10285413.58	10876857.58	9748346.121	9593224.017	12955281.4	4910657.877	11879639.45	11488633.15	10846984.07	10465712.14
methionine sulfoxide	427283.9682	179863.0896	490516.3208	462833.9393	459414.9115	217705.66	571327.7496	325399.2525	568418.9528	581248.1798	447186.6085	265509.7562
o-acetylserine	5163.040886	2301.682733	5009.315201	5163.040886	6005.133873	7336.031736	12534.66366	9230.60393	7268.028695	9230.60393	1577.250613	15542.47275
AMP	353258.7543	195981.8235	734839.672	692989.6684	532820.7383	490494.9784	468146.7756	289764.9696	644852.8705	710131.5899	780983.7282	340663.4464
sorbitol	2553867.509	190205.3867	512146.484	447670.0841	511220.9532	1969926.767	2908964.994	254266.8701	533985.5676	474882.2471	472698.2716	2369224.24
threonine	4892466.697	2333032.6	5058540.015	5196906.491	5409732.935	4345165.567	5276742.645	3509036.819	5764831.459	5160772.524	5413035.834	3934665.967
glycerophosphocholine	54671866.59	21067384.3	55870193.24	50016208.79	67899564.75	78505981.87	68818775.38	25873552.6	62683067.53	49170971.33	59122255.83	79097747.36
creatine	148915666.7	43945097.95	143826524.4	146481910.5	142682444.8	145353268.8	147174844.3	46534713.03	144438955.7	128145574.6	129344215.7	130589416.1
acetylglutamate	1132974.312	465595.1526	1167191.72	1168097.269	1160951.558	962182.9248	1010496.695	460798.6211	1205657.051	989433.6076	946716.6265	972886.4467
hydroxyproline	4577359.056	2234229.246	4773409.714	4698700.11	5650825.935	4515347.842	4502480.065	2376290.892	5082499.997	4423147.637	4841217.662	4204997.357
glutamine	291646672.8	128495754.8	277031223.7	279437135.8	316976074.2	258000590.5	303306796	172538446.4	284946295	284346238.1	307826208	250236541.1
GSH	70471506.02	31422487.48	71604185.94	82771391.11	88149894.87	70144738.17	59610564.29	31263063.51	68031513.72	70506704.4	65283258.1	51570666.82
alanine	3284101.79	1483432.731	3533689.202	3572363.786	3803462.554	4026867.256	3055157.278	2042811.018	3374826.646	3319975.782	3577022.8	3112206.981
histidine	34611304.86	14798286.72	33612188.5	31617300.58	37284416.94	29532758.43	39599909.44	19941815.67	43350796.77	36418538.94	38560724.12	34943121.91
acetylaspartate	5597370.796	1718333.237	3174889.754	3208439.142	3642809.873	2889993.268	4963978.193	2069278.746	3901347.013	3721936.636	3033176.739	3684324.064
glutamate	38804235.19	20722904.22	57579421.28	57386270.72	57840613.93	51582668.02	37709653.52	24859776.91	50916149.62	48603995.23	50212262.08	35237629.06
phosphocholine	217896469.8	93813667.55	188351239.7	198285580.2	222348970.5	151293316	211548832.6	109371147.7	214071974.9	206562535.2	204010555.7	177201310.7
aminoadipate	307422.2713	227991.5474	519288.1696	504941.5495	545721.6549	486029.9555	785698.0133	283492.6707	583412.1015	594647.499	623025.411	555706.9379
asparagine	2173505.665	1243631.215	3236895.901	3090063.186	3396606.789	2971312.591	2764589.9	1959604.304	3418871.581	3284234.745	3680798.852	2239216.377
carnosine	142718.8455	49138.41594	117303.2635	100374.0094	105889.9037	101614.6001	150729.0868	63996.44223	117420.7144	98204.82138	108328.0879	92243.76726
glycerol 3-phosphate	825221.1654	284229.9228	559492.0901	502516.1461	502090.1299	581110.1396	665920.7273	314036.617	690955.1674	527355.166	569151.9978	740970.9216
taurine	541790.3625	150453.9614	728915.9587	855001.7491	828431.636	372222.9139	590220.2409	170222.7052	668238.7213	742626.5206	835394.8384	327606.8574
beta-alanine	424660.7243	144810.8198	458354.2763	432907.5276	429764.4404	294547.3474	504285.1546	162667.6908	472923.5237	459535.418	486349.7625	417152.3099
aspartate	16009405.25	7527828.299	17838506.4	17995728.99	19960682.22	14276272.44	11184271.56	6119828.071	12866021	12758917.86	13180487.12	9740163.467
glycine	1714109.344	684599.5389	1912133.038	1840818.691	1812549.61	1520609.106	1826417.361	907830.7493	2451839.722	2002746.028	1944872.188	1580060.464
serine	2293887.68	1157843.894	2513981.773	2385083.477	2731453.428	2241565.704	2509160.414	1479959.386	2844618.821	2629620.288	2789535.704	2608329.237
citrulline	299102.1849	84647.03589	221165.4283	187589.1004	228621.6835	163048.44	335089.7575	94563.74518	241781.4545	217095.2006	205552.6073	239302.0984
DHAP	250477.194	137482.0396	131257.5702	105426.6326	148945.1778	51303.62351	111989.4079	69632.51105	147526.0439	115808.0465	182394.5019	523171.4675
guanidinoacetate	17401.25602	4728.19672	11770.01166	5188.467129	13234.24651	7866.312201	20937.45878	4313.24835	8957.940215	6569.971676	7243.363194	13601.40972
2-oxoglutarate	1701665.018	868912.5955	1667767.505	1660342.261	1533218.479	2058763.046	4411793.518	2028705.104	4152518.465	3535133.608	3592783.855	4117669.173
succinate	967649.7693	336345.4507	837255.6999	774789.5725	985925.1747	717759.2135	1253194.648	495063.8406	1143658.903	1079985.568	1124551.516	1019842.98
ATP	996049.4624	1472148.576	3525204.817	3320246.997	3115802.453	3003261.097	975157.8369	1880780.241	3955603.363	4194567.779	2204495.094	3343615.338
cystine	6352.38544	4795.063851	23163.14372	33863.57598	18952.96161	1555.186759	13120.08161	5299.526857	13363.35515	9030.074964	10253.95256	133.5337297
glyceraldehyde 3-phosphate	511434.2274	317741.1998	652368.1352	668566.4266	690353.9243	632772.555	462464.5936	296104.8358	630713.4176	514763.1342	566151.7785	523171.4675
fumarate	703728.2253	280434.8391	899093.1474	949516.5772	999073.8209	786218.5338	1214177.941	446465.3412	1365489.489	1218875.095	1247855.757	1067174.594
malate	14766574.43	5748247.368	18735208.08	19581211.39	20741488.44	16153699.82	23824449.12	9103899.136	27614941.74	24956700.36	24319727.62	21517628.47
glucuronate	59664.1009	27909.45598	54136.03827	52639.73179	68413.13645	52015.55493	63428.73318	31144.362	54167.43124	46422.34779	63309.66412	54212.57849
cystathionine	50355.34203	34146.02738	96414.8795	105618.4076	131921.0768	102920.9782	53263.82922	42941.05897	101145.989	91552.47591	112076.571	96981.18609
glucose 6-phosphate	265349.9882	48560.18157	149497.7975	159267.304	159477.2846	139806.8596	437332.5979	88740.5086	242779.1083	177822.8974	220841.6421	221532.6441
myo-inositol	576820.9808	493244.4125	860908.1811	822053.8589	1198874.525	701175.0428	634217.2993	552129.8601	882375.0529	742482.0315	1095386.729	741699.6892
phosphoenolpyruvate	43262.95286	32489.03811	97390.34073	98999.47346	77614.7044	87204.30664	41580.13021	73659.41857	104058.8311	139008.9442	76562.26512	113109.7667
glucaric acid	43345.8698	42217.65958	38454.12708	36995.88992	42217.65958	50074.75154	35965.69958	44933.25089	48920.04909	47453.42153	47393.83336	44933.25089
aconitate	2723565.653	844425.3915	2352470.343	2203300.079	2494164.495	2240559.593	3545534.563	1409760.776	3278600.509	2775794.477	3003477.367	3119158.433
choline	68165886.13	31486262.47	52674950.25	49476395.28	58494643.64	44999730.52	63932770.12	34031161.01	44920568.85	42708629.33	46376432.92	45748840.53
citrate	13406571.72	5713379.528	15582172.26	15013050.97	15542634.71	14522046.67	17496364.92	9090451.843	19673333.69	19233087.97	16785909.3	19132856.76
trimethyllysine	1259761.343	476589.3899	1110962.919	1139612.624	1139051.466	888978.6543	1473857.214	626097.7011	1285401.559	1213330.213	1102769.937	1039451.135
ornithine	387505.262	129514.9968	370095.8693	336084.0857	291085.0721	237744.8659	402843.5347	167865.504	356585.4462	372371.0993	297312.8614	251367.6332
lysine	14485856.01	4818399.224	11038634.92	8112264.376	10236655.34	7514559.4	16766879.61	5615249.296	9608273.565	8272088.402	7822286.874	10580265.66
palmitate	1862733.391	424851.5384	905995.0775	1566360.556	509332.9232	2325903.905	2728312.574	353044.3177	1198523.113	1520795.995	646537.1234	2313688.657
acetylmethionine	512877.6366	212837.0141	566752.9333	572597.8397	659078.9451	506692.8935	569263.2074	268719.7057	585487.6048	549529.6384	667759.7082	515802.4168
thymidine	10562.29183	4370.702929	14012.30991	10979.91416	16059.48438	11760.68625	19467.87998	7971.86096	12499.44183	17414.70236	11848.84551	12246.82352
pyridoxal	682938.6324	227577.0652	509750.1743	513798.6209	605600.1326	969399.8808	601152.7662	340912.529	591600.5093	550642.0826	699274.5916	1067215.454
uridine	35759.89291	15056.79449	35968.33032	39940.53084	46641.4814	119773.0963	43884.92049	55974.23887	44231.79447	41234.13326	38626.69816	55112.10335
deoxycytidine	2575.777349	1253.780423	3841.612197	3204.304007	3131.11202	2373.256373	4883.709302	2307.581012	5483.923528	5697.880942	5457.775469	4401.622705
inosine	12902.50323	8313.621533	19292.24414	24427.40788	26546.55303	167121.3936	23119.61814	56369.33284	18596.50195	37496.21649	25561.41002	69175.26287
methionine	14003523.58	6190576.367	14299034.69	12591530.52	15206728.62	11799844.96	18945588.24	9129612.551	17380532.22	16319889.65	15434476.59	15495671.33
cytidine	20773.95624	8010.738089	21837.44252	23805.06164	17836.53095	11689.03954	21682.06481	10361.78857	24338.37276	23062.67338	20956.45559	13954.1944
xanthosine	868.5963514	624.4589476	762.1675639	559.7455103	937.3051332	780.962893	915.6241314	457.6599982	1715.085346	800.5089825	705.4316919	672.0849342
ribitol	162174.5325	62934.80381	173699.2022	163277.2276	167658.2236	142715.0034	196470.7606	78841.87875	159788.7873	139396.1751	161317.247	134282.3577
1-methyladenosine	349333.8181	173573.2892	490094.3652	465270.463	394482.9603	316547.4583	469478.8228	281874.3725	582287.9159	502229.4802	458237.49	349871.6064
SAH	123629.623	147899.7797	430709.4204	525751.7628	408334.5081	568514.7554	207712.5124	160955.2844	383645.4231	368168.2248	318762.7879	253864.5016
dTMP		51.6829535		132.3398517		92.97288375		234.9351164				
coenzyme A	15443.54752	23761.51115	79461.62889	81575.30836	62827.74357	75196.95619	14653.00658	32104.48995	67133.04919	87061.4158	31374.40694	73203.58737
urate	106827.8913	28638.65967	72621.66187	52130.13809	67716.01012	79159.15137	134023.4325	26105.74738	58196.22653	42274.1852	54411.94133	82407.08186
NAD	6763088.716	3291889.789	6676748.823	6518277.129	7566284.708	6417015.917	6373438.762	3831609.078	7031307.885	6446353.756	6636623.952	5917939.903
allantoin	401520.4986	204198.5158	547677.8312	566146.9319	543952.3767	386325.4817	448315.0367	319610.4999	515240.4903	531203.975	566517.8512	253079.4617
pseudouridine	239811.4519	104836.6296	294763.3185	301506.8155	239157.7718	240117.2118	222653.8338	120050.0046	324512.1913	270315.9461	247116.5423	237476.317
ADP	106741.8625	175408.3613	975043.2707	960088.3645	539645.8027	592817.5064	232682.0871	333910.2572	996619.4237	892863.1837	416676.0708	281885.9134
glucose	508917.1616	201334.4439	253474.6178	156140.2714	275235.7092	185828.3902	569099.6629	181376.2533	245589.4729	180312.7886	202927.1433	220462.4302
hypotaurine	27020.47813	1079.795579	83777.16697	78837.07834	48251.49585	16857.69766	24549.43343	3101.755322	40534.34241	62364.11264	36019.74297	9790.799721
citicoline	139436.5324	59305.48551	135307.2156	141519.249	181593.5414	179778.3282	163712.0561	87650.39897	162332.216	135428.6626	213372.9099	147843.1215
phosphocreatine	5754336.334	1876226.926	6081430.228	6298547.602	5003448.105	5777203.122	6351465.734	2596921.903	6400369.848	6028228.884	5329828.214	4718911.604
SAM	2957169.609	1638811.472	2937123.745	2571956.398	3450827.364	2314257.116	2805236.829	2250398.584	3269495.778	2761227.252	3824449.584	2045848.179
UDP-GlcNAc	3207850.378	1358171.178	4494756.589	4768453.148	3929272.17	3488877.845	3569317.963	1994189.732	4544912.601	4360170.323	4405842.114	2668350.803
UMP	26812.08427	19670.00497	68746.27291	82172.60001	46919.2706	67096.64992	40173.25158	16918.4051	70022.40558	44699.17668	46014.38602	49156.16279
2-hydroxyglutarate	1174934.225	563172.8397	1248079.905	1094606.47	1184851.164	1308617.319	1776257.069	980674.0691	2221513.413	1925522.847	2009369.123	1313.747534
IMP	4211.732758	2928.311877	9590.609135	6020.812798	5744.943003	5153.360731	4006.541348	2819.40036	6989.478714	6991.549651	4224.554128	3751.537374
o-phosphoethanolamine	179056.7991	292675.9034	82207.15469	95301.13967	168144.3762	467288.3682	179216.1493	322734.5618	120164.2531	68232.74498	179077.5694	443850.4988
ribose 5-phosphate	25699.4366	6827.582357	21198.23129	19526.1393	22528.51908	17758.96083	25955.23364	16607.456	23690.55544	23923.80952	28348.18434	22581.76772
CMP	13126.06462		14979.90647	19203.32919			15563.77215	5437.085414		13097.18229	14345.47598	
CDP-ethanolamine	37090.78701	25475.28056	23749.32598	26405.89212	41943.23854	50421.45968	36986.32308	27000.31045	30737.20246	18563.42319	41340.54318	54403.39828
phosphoserine	153316.8289	271272.6593	277507.2562	260459.475	325504.8762	295776.6225	119165.275	204371.0457	225109.6615	186644.3172	220739.7885	176422.8227
sedoheptulose 7-phosphate	43168.22921	7094.778818	22370.2421	27614.63127	28466.16119	32154.55369	51910.51237	13045.81473	24560.06579	22672.40389	26364.84761	30129.08258
UDP	36638.37286	62261.62734	235872.1148	251035.1532	183461.2863	216119.3813	62174.87145	99038.73975	266657.0383	242006.676	109172.7881	143059.5057
argininosuccinate	59775.69927	21454.852	55687.51282	64703.29841	61059.52898	59410.69311	93145.76335	38151.36809	89715.0788	96818.49102	92989.4776	88976.84751
carbamoylaspartate	130612.6537	86648.69364	210947.5515	187752.9198	181081.5152	141022.6827	107648.6835	50186.58216	151818.3557	121287.4095	127079.9762	88192.32157
UDP-glucose	912545.4442	619238.4606	1302533.313	1437080.21	1365357.544	1260302.547	999598.9147	813838.987	1560408.525	1422540.458	1294379.136	1340774.324
3-phosphoglycerate	548317.8331	513968.3775	1239321.782	1584222.468	1128440.071	1186172.523	482896.6647	790183.0129	1319991.608	1511645.063	1021220.637	1182564.495
CDP	3798.227147	11607.66938	60335.90996	58740.95425	37605.8157	46071.5873	13399.62822	19126.77598	68741.32335	52906.26767	20537.68537	28292.12236
GMP	14565.02638	2987.065386	18896.21251	16095.33863	13031.1974	3151.327475	14428.7834	1718.602797	21010.74087	8255.106473	13638.32255	4006.682793
GSSG	1281401.206	560396.7767	999914.4197	1097957.044	1232514.383	899468.6197	1440885.854	534869.3978	1341652.264	958648.8414	1384626.89	973302.5962
GDP	7516.518661	16514.28491	64430.24593	61521.93146	31896.94899	38545.6265	11174.9548	25732.17817	86975.7954	70645.22116	19392.03479	25441.33403
CTP	51099.33037	76536.31298	191942.9102	170423.2384	131971.5793	142941.1871	52590.57481	111653.4972	241938.4619	264283.6976	113167.5468	198202.7626
thiamine	759229.7018	1191903.497	1361209.673	1301713.705	2890518.014	4275118.479	1369100.576	1380978.592	1479545.122	1226015.916	2643426.499	4797411.054
GDP-mannose	9880.245023	5799.954517	22776.69264	21759.14316	20014.11291	15803.52332	10797.28215	11947.45531	25015.27666	27120.58753	17885.56022	18553.23238
UDP-glucuronate	71607.22131	106370.7154	252824.4304	248475.4063	152961.4889	132768.7464	84124.64485	142058.8462	269597.9166	309283.6163	92000.27856	152021.7617
GTP	26579.94535	64459.58943	162198.9323	133589.5273	105602.8687	122150.7727	28307.3373	104249.816	221090.9781	254112.4212	82803.29526	168343.4426
3-hydroxybutyrate	47933.39138	9010.978802	31731.56568	29741.57272	42989.26738	33635.49049	36796.34712	18225.34123	40830.2004	35308.23621	32909.99098	31509.78601
arginine	22332504.84	17678353.35	17390058.59	14935168.9	18697457.4	15036577	25208446.01	10118022.65	18543978.47	16463902.73	17095068.48	17698324.33
FAD	345.294158	1037.564323	7111.772207	7813.196312	9787.391747	4611.018354	881.2402964	9015.807331	12163.46043	11723.45737	11546.97222	4237.231908
fructose 1,6-bisphosphate	633602.7049		876581.1304	952226.7377		741094.2247			1296509.221		1030787.373	
GABA	703256.1169	215451.3917	748791.1754	841587.3665	701724.4876	672495.56	771109.8482	258370.2598	755676.2366	800938.2994	709345.3245	528055.1782
glucose 1-phosphate	36300.66225	12703.67494	34745.6783	38893.27607	35951.67741	34256.75789	54166.53876	21930.64989	42099.29118	41329.54809	44562.72582	33051.46005
isoleucine	61790234.01	27192806.21	63840849.73	56011959.23	65701623.7	52520659.85	86923727.53	39854320.75	76051453.91	74284997.97	69753427.04	146498529.4
NADH	8328.803347	33287.11624	182771.0109	113770.7152	194884.5754	299641.3311	16870.97804	27299.35992	157268.3587	150627.9957	60967.69695	237578.6971
NADP	19186.44938	21422.9889	42944.01009	48665.08913	53175.49515	63428.22243	20018.68997	25387.35237	53126.85871	54428.52069	48411.62523	46083.40378
NADPH	7829.813495	12236.00981	47266.38406	45222.30675	24600.19959	18802.69424	10349.83552	17224.69452	49585.02314	50072.53472	11727.44575	37111.38249
UTP	158554.4999	238390.36	573241.4867	548480.9195	459980.0639	429049.6365	157974.9522	336022.8147	674575.1024	724323.7833	338343.8799	560667.3817
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Ctrl 01	Ctrl 02	Ctrl 03	Ctrl 04	Ctrl 05	Ctrl 06	BCKAs 01	BCKAs 02	BCKAs 03	BCKAs 04	BCKAs 05	BCKAs 06
oleate	88800.91439	27588.56763	46970.7729	57382.37029	52003.21934	124947.7194	149826.3009	41193.96772	65319.67705	70776.65908	95568.87317	117274.3456
stearate	3644665.233	166715.9056	549801.0613	712879.8163	159039.3147	4470385.933	5630927.722	173248.0239	687784.9256	682789.4704	255805.0328	4415549.413
ketoleucine	3097502.459	1149790.763	2362236.996	1944796.635	2638198.265	2856260.821	17087227.11	5131546.946	10590865.76	8598213.225	9167572.666	10791707.98
methylthioadenosine	765290.6543	420742.1588	1680326.259	1445460.138	1470741.841	1433342.259	1204342.968	439798.801	1724347.345	1010007.497	1103048.427	995055.7576
niacinamide	35569614.71	13297765.09	30969056.15	25044390.77	28306387.94	21673481.59	40558515.3	14332479.64	29269815.42	23805745.56	20131497.96	25808080.14
pyridoxine	22261065.65	8376509.036	18267902.43	15313796.12	18879953.09	17038093.57	23636996.76	9125945.066	16937741.4	14526617.32	15706218.84	19389737.2
butyrylcarnitine	1457017.349	374974.569	1417166.532	1527520.422	1040041.176	791152.2991	1780008.742	597542.7053	1828042.873	1704418.442	1236559.998	1089694.868
2-hydroxybutyrate	28317.24469	7705.560383	18050.31864	17833.08728	20595.85194	19060.06654	29692.03554	13066.1763	23836.96938	18350.87815	23826.24703	22005.53387
pantothenate	68974900.45	27926751.56	61414738.72	63682406.04	75115445.69	61776514.84	76180042.44	33471139.31	64824604.34	61870316.64	65021336.79	68115198.4
pyruvate	988403.4038	262776.9387	431207.5433	321897.7353	572342.4784	405308.0639	1176487.383	229449.3812	517640.2871	414709.8773	490781.492	813078.7393
acetylalanine	197007.452	67499.15475	216689.7615	241852.9607	218796.4774	172537.8115	235469.1824	89120.97261	245991.5006	234849.4335	211720.7813	182446.9124
propionylcarnitine	2778406.711	765310.1297	1978148.245	2006382.331	1719768.419	1706159.436	3322659.836	1121859.349	2791733.095	2436641.68	2067806.227	2182734.997
creatinine	9479750.701	2869081.436	7337856.692	6546806.663	7543814.132	5887876.174	10697988.58	3403758.125	7209228.237	6323582.36	6026659.503	6763010.065
phenylalanine	37665163.24	16379462.05	40171983.54	35422956.66	39178741.68	30774379.59	51450078.43	26966836.06	49049887.1	45397577.37	44454882.87	44259989.51
hypoxanthine	802333.5188	300343.6114	665425.9366	634301.6086	754221.8015	469044.8663	1080411.086	1220672.545	820195.7498	843833.1231	788254.3786	786616.8211
lactate	12390514.83	4316131.253	14119910.33	12232850.02	11940102.12	9828899.687	15414624.74	5722662.641	13473895.99	12626597.6	11305383.54	12896866.03
glycerol	182653.9274	20516.04447	35378.75469	24233.13272	41920.87758	101473.0847	459246.9634	34502.8138	40556.86753	35485.96997	23729.99484	156472.8813
kynurenine	84183.04931	37207.99489	79512.93449	88194.21138	91495.73364	38778.64442	113952.9639	61190.49414	115108.8526	97549.86827	99165.10763	56147.57873
leucine	120860979.4	58474090.01	132129285.2	118698180.2	139535006	109205239.2	173287824.3	85721224.51	166778686.4	151781384.6	149172197.9	146498529.4
orotate	12004.40714	7539.286166	41625.00099	41353.15916	33654.93358	29355.85159	16292.57789	7066.433669	21771.14617	39730.95037	15584.3025	8422.451169
o-acetylcarnitine	18265812.45	6098227.055	18516105.36	17759130.36	16498201.33	11801663.16	18402218.85	5540154.143	16389637.83	14695922.54	12710954.46	10442854.71
acetylglutamine	35193.68664	17676.3343	49200.1701	47437.60787	54089.55635	51703.84538	53746.33157	24899.77895	53333.99676	55463.65647	52600.94119	47698.83047
betaine	5684131.907	2522475.291	5895395.051	5831564.355	6284631.476	5078782.393	6506068.775	2835248.053	6235815.538	5952360.889	5764788.726	5579057.105
tryptophan	1706529.25	837004.0579	1776107.297	1573872.696	2064411.64	1767758.95	2366271.153	1324646.707	2232017.504	2053516.637	2200964.679	2448479.192
xanthine	417068.4454	227889.9224	480287.7821	491351.3364	514798.1693	389911.0026	462304.6128	225620.913	490598.504	437563.0199	519755.0996	417150.6965
glycerate	50876.9964	25393.19987	68809.44625	52686.01633	62325.15258	55655.59786	69356.7298	35963.35547	75291.49103	63293.07474	64650.80754	60203.75059
valine	42279928.36	20213977.04	44715239.17	40603197.74	46219199.82	37655685.73	59632977.89	31042449.33	52662504.1	49130898.1	51474061.74	47518362.89
proline	181684370.1	79867409.44	233180223.9	230880837.2	225054613.7	177660578.7	241670755.6	114603744.1	263697818.3	238723207.5	230810092.4	193314269.2
acetylcholine	3977770.487	1545132.541	4602955.576	4677413.384	4063117.029	3286061.268	4960701.46	2025133.848	5095185.022	4576180.725	4442644.739	3487759.369
tyrosine	4435151.691	2257313.636	5171630.257	4552048.637	5100746.596	4189530.504	6251707.957	3557072.969	5897000.627	5362547.923	5685635.745	5151177.89
fructose	137747.7557	99181.02292	118143.2148	85329.68672	96688.18523	57996.27211	131631.0511	44351.71621	86136.93111	83761.67184	83366.24673	89039.25003
carnitine	9626537.432	3358882.903	10285413.58	10876857.58	9748346.121	9593224.017	12955281.4	4910657.877	11879639.45	11488633.15	10846984.07	10465712.14
methionine sulfoxide	427283.9682	179863.0896	490516.3208	462833.9393	459414.9115	217705.66	571327.7496	325399.2525	568418.9528	581248.1798	447186.6085	265509.7562
o-acetylserine	5163.040886	2301.682733	5009.315201	5163.040886	6005.133873	7336.031736	12534.66366	9230.60393	7268.028695	9230.60393	1577.250613	15542.47275
AMP	353258.7543	195981.8235	734839.672	692989.6684	532820.7383	490494.9784	468146.7756	289764.9696	644852.8705	710131.5899	780983.7282	340663.4464
sorbitol	2553867.509	190205.3867	512146.484	447670.0841	511220.9532	1969926.767	2908964.994	254266.8701	533985.5676	474882.2471	472698.2716	2369224.24
threonine	4892466.697	2333032.6	5058540.015	5196906.491	5409732.935	4345165.567	5276742.645	3509036.819	5764831.459	5160772.524	5413035.834	3934665.967
glycerophosphocholine	54671866.59	21067384.3	55870193.24	50016208.79	67899564.75	78505981.87	68818775.38	25873552.6	62683067.53	49170971.33	59122255.83	79097747.36
creatine	148915666.7	43945097.95	143826524.4	146481910.5	142682444.8	145353268.8	147174844.3	46534713.03	144438955.7	128145574.6	129344215.7	130589416.1
acetylglutamate	1132974.312	465595.1526	1167191.72	1168097.269	1160951.558	962182.9248	1010496.695	460798.6211	1205657.051	989433.6076	946716.6265	972886.4467
hydroxyproline	4577359.056	2234229.246	4773409.714	4698700.11	5650825.935	4515347.842	4502480.065	2376290.892	5082499.997	4423147.637	4841217.662	4204997.357
glutamine	291646672.8	128495754.8	277031223.7	279437135.8	316976074.2	258000590.5	303306796	172538446.4	284946295	284346238.1	307826208	250236541.1
GSH	70471506.02	31422487.48	71604185.94	82771391.11	88149894.87	70144738.17	59610564.29	31263063.51	68031513.72	70506704.4	65283258.1	51570666.82
alanine	3284101.79	1483432.731	3533689.202	3572363.786	3803462.554	4026867.256	3055157.278	2042811.018	3374826.646	3319975.782	3577022.8	3112206.981
histidine	34611304.86	14798286.72	33612188.5	31617300.58	37284416.94	29532758.43	39599909.44	19941815.67	43350796.77	36418538.94	38560724.12	34943121.91
acetylaspartate	5597370.796	1718333.237	3174889.754	3208439.142	3642809.873	2889993.268	4963978.193	2069278.746	3901347.013	3721936.636	3033176.739	3684324.064
glutamate	38804235.19	20722904.22	57579421.28	57386270.72	57840613.93	51582668.02	37709653.52	24859776.91	50916149.62	48603995.23	50212262.08	35237629.06
phosphocholine	217896469.8	93813667.55	188351239.7	198285580.2	222348970.5	151293316	211548832.6	109371147.7	214071974.9	206562535.2	204010555.7	177201310.7
aminoadipate	307422.2713	227991.5474	519288.1696	504941.5495	545721.6549	486029.9555	785698.0133	283492.6707	583412.1015	594647.499	623025.411	555706.9379
asparagine	2173505.665	1243631.215	3236895.901	3090063.186	3396606.789	2971312.591	2764589.9	1959604.304	3418871.581	3284234.745	3680798.852	2239216.377
carnosine	142718.8455	49138.41594	117303.2635	100374.0094	105889.9037	101614.6001	150729.0868	63996.44223	117420.7144	98204.82138	108328.0879	92243.76726
glycerol 3-phosphate	825221.1654	284229.9228	559492.0901	502516.1461	502090.1299	581110.1396	665920.7273	314036.617	690955.1674	527355.166	569151.9978	740970.9216
taurine	541790.3625	150453.9614	728915.9587	855001.7491	828431.636	372222.9139	590220.2409	170222.7052	668238.7213	742626.5206	835394.8384	327606.8574
beta-alanine	424660.7243	144810.8198	458354.2763	432907.5276	429764.4404	294547.3474	504285.1546	162667.6908	472923.5237	459535.418	486349.7625	417152.3099
aspartate	16009405.25	7527828.299	17838506.4	17995728.99	19960682.22	14276272.44	11184271.56	6119828.071	12866021	12758917.86	13180487.12	9740163.467
glycine	1714109.344	684599.5389	1912133.038	1840818.691	1812549.61	1520609.106	1826417.361	907830.7493	2451839.722	2002746.028	1944872.188	1580060.464
serine	2293887.68	1157843.894	2513981.773	2385083.477	2731453.428	2241565.704	2509160.414	1479959.386	2844618.821	2629620.288	2789535.704	2608329.237
citrulline	299102.1849	84647.03589	221165.4283	187589.1004	228621.6835	163048.44	335089.7575	94563.74518	241781.4545	217095.2006	205552.6073	239302.0984
DHAP	250477.194	137482.0396	131257.5702	105426.6326	148945.1778	51303.62351	111989.4079	69632.51105	147526.0439	115808.0465	182394.5019	523171.4675
guanidinoacetate	17401.25602	4728.19672	11770.01166	5188.467129	13234.24651	7866.312201	20937.45878	4313.24835	8957.940215	6569.971676	7243.363194	13601.40972
2-oxoglutarate	1701665.018	868912.5955	1667767.505	1660342.261	1533218.479	2058763.046	4411793.518	2028705.104	4152518.465	3535133.608	3592783.855	4117669.173
succinate	967649.7693	336345.4507	837255.6999	774789.5725	985925.1747	717759.2135	1253194.648	495063.8406	1143658.903	1079985.568	1124551.516	1019842.98
ATP	996049.4624	1472148.576	3525204.817	3320246.997	3115802.453	3003261.097	975157.8369	1880780.241	3955603.363	4194567.779	2204495.094	3343615.338
cystine	6352.38544	4795.063851	23163.14372	33863.57598	18952.96161	1555.186759	13120.08161	5299.526857	13363.35515	9030.074964	10253.95256	133.5337297
glyceraldehyde 3-phosphate	511434.2274	317741.1998	652368.1352	668566.4266	690353.9243	632772.555	462464.5936	296104.8358	630713.4176	514763.1342	566151.7785	523171.4675
fumarate	703728.2253	280434.8391	899093.1474	949516.5772	999073.8209	786218.5338	1214177.941	446465.3412	1365489.489	1218875.095	1247855.757	1067174.594
malate	14766574.43	5748247.368	18735208.08	19581211.39	20741488.44	16153699.82	23824449.12	9103899.136	27614941.74	24956700.36	24319727.62	21517628.47
glucuronate	59664.1009	27909.45598	54136.03827	52639.73179	68413.13645	52015.55493	63428.73318	31144.362	54167.43124	46422.34779	63309.66412	54212.57849
cystathionine	50355.34203	34146.02738	96414.8795	105618.4076	131921.0768	102920.9782	53263.82922	42941.05897	101145.989	91552.47591	112076.571	96981.18609
glucose 6-phosphate	265349.9882	48560.18157	149497.7975	159267.304	159477.2846	139806.8596	437332.5979	88740.5086	242779.1083	177822.8974	220841.6421	221532.6441
myo-inositol	576820.9808	493244.4125	860908.1811	822053.8589	1198874.525	701175.0428	634217.2993	552129.8601	882375.0529	742482.0315	1095386.729	741699.6892
phosphoenolpyruvate	43262.95286	32489.03811	97390.34073	98999.47346	77614.7044	87204.30664	41580.13021	73659.41857	104058.8311	139008.9442	76562.26512	113109.7667
glucaric acid	43345.8698	42217.65958	38454.12708	36995.88992	42217.65958	50074.75154	35965.69958	44933.25089	48920.04909	47453.42153	47393.83336	44933.25089
aconitate	2723565.653	844425.3915	2352470.343	2203300.079	2494164.495	2240559.593	3545534.563	1409760.776	3278600.509	2775794.477	3003477.367	3119158.433
choline	68165886.13	31486262.47	52674950.25	49476395.28	58494643.64	44999730.52	63932770.12	34031161.01	44920568.85	42708629.33	46376432.92	45748840.53
citrate	13406571.72	5713379.528	15582172.26	15013050.97	15542634.71	14522046.67	17496364.92	9090451.843	19673333.69	19233087.97	16785909.3	19132856.76
trimethyllysine	1259761.343	476589.3899	1110962.919	1139612.624	1139051.466	888978.6543	1473857.214	626097.7011	1285401.559	1213330.213	1102769.937	1039451.135
ornithine	387505.262	129514.9968	370095.8693	336084.0857	291085.0721	237744.8659	402843.5347	167865.504	356585.4462	372371.0993	297312.8614	251367.6332
lysine	14485856.01	4818399.224	11038634.92	8112264.376	10236655.34	7514559.4	16766879.61	5615249.296	9608273.565	8272088.402	7822286.874	10580265.66
palmitate	1862733.391	424851.5384	905995.0775	1566360.556	509332.9232	2325903.905	2728312.574	353044.3177	1198523.113	1520795.995	646537.1234	2313688.657
acetylmethionine	512877.6366	212837.0141	566752.9333	572597.8397	659078.9451	506692.8935	569263.2074	268719.7057	585487.6048	549529.6384	667759.7082	515802.4168
thymidine	10562.29183	4370.702929	14012.30991	10979.91416	16059.48438	11760.68625	19467.87998	7971.86096	12499.44183	17414.70236	11848.84551	12246.82352
pyridoxal	682938.6324	227577.0652	509750.1743	513798.6209	605600.1326	969399.8808	601152.7662	340912.529	591600.5093	550642.0826	699274.5916	1067215.454
uridine	35759.89291	15056.79449	35968.33032	39940.53084	46641.4814	119773.0963	43884.92049	55974.23887	44231.79447	41234.13326	38626.69816	55112.10335
deoxycytidine	2575.777349	1253.780423	3841.612197	3204.304007	3131.11202	2373.256373	4883.709302	2307.581012	5483.923528	5697.880942	5457.775469	4401.622705
inosine	12902.50323	8313.621533	19292.24414	24427.40788	26546.55303	167121.3936	23119.61814	56369.33284	18596.50195	37496.21649	25561.41002	69175.26287
methionine	14003523.58	6190576.367	14299034.69	12591530.52	15206728.62	11799844.96	18945588.24	9129612.551	17380532.22	16319889.65	15434476.59	15495671.33
cytidine	20773.95624	8010.738089	21837.44252	23805.06164	17836.53095	11689.03954	21682.06481	10361.78857	24338.37276	23062.67338	20956.45559	13954.1944
xanthosine	868.5963514	624.4589476	762.1675639	559.7455103	937.3051332	780.962893	915.6241314	457.6599982	1715.085346	800.5089825	705.4316919	672.0849342
ribitol	162174.5325	62934.80381	173699.2022	163277.2276	167658.2236	142715.0034	196470.7606	78841.87875	159788.7873	139396.1751	161317.247	134282.3577
1-methyladenosine	349333.8181	173573.2892	490094.3652	465270.463	394482.9603	316547.4583	469478.8228	281874.3725	582287.9159	502229.4802	458237.49	349871.6064
SAH	123629.623	147899.7797	430709.4204	525751.7628	408334.5081	568514.7554	207712.5124	160955.2844	383645.4231	368168.2248	318762.7879	253864.5016
dTMP		51.6829535		132.3398517		92.97288375		234.9351164
coenzyme A	15443.54752	23761.51115	79461.62889	81575.30836	62827.74357	75196.95619	14653.00658	32104.48995	67133.04919	87061.4158	31374.40694	73203.58737
urate	106827.8913	28638.65967	72621.66187	52130.13809	67716.01012	79159.15137	134023.4325	26105.74738	58196.22653	42274.1852	54411.94133	82407.08186
NAD	6763088.716	3291889.789	6676748.823	6518277.129	7566284.708	6417015.917	6373438.762	3831609.078	7031307.885	6446353.756	6636623.952	5917939.903
allantoin	401520.4986	204198.5158	547677.8312	566146.9319	543952.3767	386325.4817	448315.0367	319610.4999	515240.4903	531203.975	566517.8512	253079.4617
pseudouridine	239811.4519	104836.6296	294763.3185	301506.8155	239157.7718	240117.2118	222653.8338	120050.0046	324512.1913	270315.9461	247116.5423	237476.317
ADP	106741.8625	175408.3613	975043.2707	960088.3645	539645.8027	592817.5064	232682.0871	333910.2572	996619.4237	892863.1837	416676.0708	281885.9134
glucose	508917.1616	201334.4439	253474.6178	156140.2714	275235.7092	185828.3902	569099.6629	181376.2533	245589.4729	180312.7886	202927.1433	220462.4302
hypotaurine	27020.47813	1079.795579	83777.16697	78837.07834	48251.49585	16857.69766	24549.43343	3101.755322	40534.34241	62364.11264	36019.74297	9790.799721
citicoline	139436.5324	59305.48551	135307.2156	141519.249	181593.5414	179778.3282	163712.0561	87650.39897	162332.216	135428.6626	213372.9099	147843.1215
phosphocreatine	5754336.334	1876226.926	6081430.228	6298547.602	5003448.105	5777203.122	6351465.734	2596921.903	6400369.848	6028228.884	5329828.214	4718911.604
SAM	2957169.609	1638811.472	2937123.745	2571956.398	3450827.364	2314257.116	2805236.829	2250398.584	3269495.778	2761227.252	3824449.584	2045848.179
UDP-GlcNAc	3207850.378	1358171.178	4494756.589	4768453.148	3929272.17	3488877.845	3569317.963	1994189.732	4544912.601	4360170.323	4405842.114	2668350.803
UMP	26812.08427	19670.00497	68746.27291	82172.60001	46919.2706	67096.64992	40173.25158	16918.4051	70022.40558	44699.17668	46014.38602	49156.16279
2-hydroxyglutarate	1174934.225	563172.8397	1248079.905	1094606.47	1184851.164	1308617.319	1776257.069	980674.0691	2221513.413	1925522.847	2009369.123	1313.747534
IMP	4211.732758	2928.311877	9590.609135	6020.812798	5744.943003	5153.360731	4006.541348	2819.40036	6989.478714	6991.549651	4224.554128	3751.537374
o-phosphoethanolamine	179056.7991	292675.9034	82207.15469	95301.13967	168144.3762	467288.3682	179216.1493	322734.5618	120164.2531	68232.74498	179077.5694	443850.4988
ribose 5-phosphate	25699.4366	6827.582357	21198.23129	19526.1393	22528.51908	17758.96083	25955.23364	16607.456	23690.55544	23923.80952	28348.18434	22581.76772
CMP	13126.06462		14979.90647	19203.32919			15563.77215	5437.085414		13097.18229	14345.47598
CDP-ethanolamine	37090.78701	25475.28056	23749.32598	26405.89212	41943.23854	50421.45968	36986.32308	27000.31045	30737.20246	18563.42319	41340.54318	54403.39828
phosphoserine	153316.8289	271272.6593	277507.2562	260459.475	325504.8762	295776.6225	119165.275	204371.0457	225109.6615	186644.3172	220739.7885	176422.8227
sedoheptulose 7-phosphate	43168.22921	7094.778818	22370.2421	27614.63127	28466.16119	32154.55369	51910.51237	13045.81473	24560.06579	22672.40389	26364.84761	30129.08258
UDP	36638.37286	62261.62734	235872.1148	251035.1532	183461.2863	216119.3813	62174.87145	99038.73975	266657.0383	242006.676	109172.7881	143059.5057
argininosuccinate	59775.69927	21454.852	55687.51282	64703.29841	61059.52898	59410.69311	93145.76335	38151.36809	89715.0788	96818.49102	92989.4776	88976.84751
carbamoylaspartate	130612.6537	86648.69364	210947.5515	187752.9198	181081.5152	141022.6827	107648.6835	50186.58216	151818.3557	121287.4095	127079.9762	88192.32157
UDP-glucose	912545.4442	619238.4606	1302533.313	1437080.21	1365357.544	1260302.547	999598.9147	813838.987	1560408.525	1422540.458	1294379.136	1340774.324
3-phosphoglycerate	548317.8331	513968.3775	1239321.782	1584222.468	1128440.071	1186172.523	482896.6647	790183.0129	1319991.608	1511645.063	1021220.637	1182564.495
CDP	3798.227147	11607.66938	60335.90996	58740.95425	37605.8157	46071.5873	13399.62822	19126.77598	68741.32335	52906.26767	20537.68537	28292.12236
GMP	14565.02638	2987.065386	18896.21251	16095.33863	13031.1974	3151.327475	14428.7834	1718.602797	21010.74087	8255.106473	13638.32255	4006.682793
GSSG	1281401.206	560396.7767	999914.4197	1097957.044	1232514.383	899468.6197	1440885.854	534869.3978	1341652.264	958648.8414	1384626.89	973302.5962
GDP	7516.518661	16514.28491	64430.24593	61521.93146	31896.94899	38545.6265	11174.9548	25732.17817	86975.7954	70645.22116	19392.03479	25441.33403
CTP	51099.33037	76536.31298	191942.9102	170423.2384	131971.5793	142941.1871	52590.57481	111653.4972	241938.4619	264283.6976	113167.5468	198202.7626
thiamine	759229.7018	1191903.497	1361209.673	1301713.705	2890518.014	4275118.479	1369100.576	1380978.592	1479545.122	1226015.916	2643426.499	4797411.054
GDP-mannose	9880.245023	5799.954517	22776.69264	21759.14316	20014.11291	15803.52332	10797.28215	11947.45531	25015.27666	27120.58753	17885.56022	18553.23238
UDP-glucuronate	71607.22131	106370.7154	252824.4304	248475.4063	152961.4889	132768.7464	84124.64485	142058.8462	269597.9166	309283.6163	92000.27856	152021.7617
GTP	26579.94535	64459.58943	162198.9323	133589.5273	105602.8687	122150.7727	28307.3373	104249.816	221090.9781	254112.4212	82803.29526	168343.4426
3-hydroxybutyrate	47933.39138	9010.978802	31731.56568	29741.57272	42989.26738	33635.49049	36796.34712	18225.34123	40830.2004	35308.23621	32909.99098	31509.78601
arginine	22332504.84	17678353.35	17390058.59	14935168.9	18697457.4	15036577	25208446.01	10118022.65	18543978.47	16463902.73	17095068.48	17698324.33
FAD	345.294158	1037.564323	7111.772207	7813.196312	9787.391747	4611.018354	881.2402964	9015.807331	12163.46043	11723.45737	11546.97222	4237.231908
fructose 1,6-bisphosphate	633602.7049		876581.1304	952226.7377		741094.2247			1296509.221		1030787.373
GABA	703256.1169	215451.3917	748791.1754	841587.3665	701724.4876	672495.56	771109.8482	258370.2598	755676.2366	800938.2994	709345.3245	528055.1782
glucose 1-phosphate	36300.66225	12703.67494	34745.6783	38893.27607	35951.67741	34256.75789	54166.53876	21930.64989	42099.29118	41329.54809	44562.72582	33051.46005
isoleucine	61790234.01	27192806.21	63840849.73	56011959.23	65701623.7	52520659.85	86923727.53	39854320.75	76051453.91	74284997.97	69753427.04	146498529.4
NADH	8328.803347	33287.11624	182771.0109	113770.7152	194884.5754	299641.3311	16870.97804	27299.35992	157268.3587	150627.9957	60967.69695	237578.6971
NADP	19186.44938	21422.9889	42944.01009	48665.08913	53175.49515	63428.22243	20018.68997	25387.35237	53126.85871	54428.52069	48411.62523	46083.40378
NADPH	7829.813495	12236.00981	47266.38406	45222.30675	24600.19959	18802.69424	10349.83552	17224.69452	49585.02314	50072.53472	11727.44575	37111.38249
UTP	158554.4999	238390.36	573241.4867	548480.9195	459980.0639	429049.6365	157974.9522	336022.8147	674575.1024	724323.7833	338343.8799	560667.3817
METABOLITES_END
#END