#METABOLOMICS WORKBENCH riverup_20230405_193420 DATATRACK_ID:3845 STUDY_ID:ST002541 ANALYSIS_ID:AN004187 PROJECT_ID:PR001637
VERSION             	1
CREATED_ON             	April 6, 2023, 11:09 am
#PROJECT
PR:PROJECT_TITLE                 	The metabolomics analysis of Methionine restriction
PR:PROJECT_TYPE                  	targeted metabolomics data
PR:PROJECT_SUMMARY               	Methionine restriction (MR) provides metabolic benefits in many organisms.
PR:PROJECT_SUMMARY               	However, mechanisms underlying the MR-induced effect remain incompletely
PR:PROJECT_SUMMARY               	understood. Here, we show in the budding yeast S. cerevisiae that MR relays a
PR:PROJECT_SUMMARY               	signal of S-adenosylmethionine (SAM) deprivation to adapt bioenergetic
PR:PROJECT_SUMMARY               	mitochondria to nitrogenic anabolism.In particular, decreases in cellular SAM
PR:PROJECT_SUMMARY               	constrain lipoate metabolism and protein lipoylation required for the operation
PR:PROJECT_SUMMARY               	of the tricarboxylic acid (TCA) cycle in the mitochondria, leading to incomplete
PR:PROJECT_SUMMARY               	glucose oxidation with an exit of acetyl-CoA and -ketoglutarate from the TCA
PR:PROJECT_SUMMARY               	cycle to the syntheses of amino acids, such as arginine and leucine. This
PR:PROJECT_SUMMARY               	mitochondrial SAM-induced response, namely mitoSIR, promotes cell fitness
PR:PROJECT_SUMMARY               	through the coordination of mitochondrial fuel metabolism with the nitrogenic
PR:PROJECT_SUMMARY               	synthesis of amino acids.
PR:INSTITUTE                     	Life Sciences Institute, ZheJiang University
PR:LAST_NAME                     	Cunqi
PR:FIRST_NAME                    	Ye
PR:ADDRESS                       	866 Yuhangtang Rd, Hangzhou 310058, P.R. China
PR:EMAIL                         	yecunqi@zju.edu.cn
PR:PHONE                         	15267181160
#STUDY
ST:STUDY_TITLE                   	Methionine restriction constrains lipoylation and activates mitochondria for
ST:STUDY_TITLE                   	nitrogenic synthesis of amino acids (Part 1)
ST:STUDY_SUMMARY                 	Methionine restriction (MR) provides metabolic benefits in many organisms.
ST:STUDY_SUMMARY                 	However, mechanisms underlying the MR-induced effect remain incompletely
ST:STUDY_SUMMARY                 	understood. Here, we show in the budding yeast S. cerevisiae that MR relays a
ST:STUDY_SUMMARY                 	signal of S-adenosylmethionine (SAM) deprivation to adapt bioenergetic
ST:STUDY_SUMMARY                 	mitochondria to nitrogenic anabolism. In particular, decreases in cellular SAM
ST:STUDY_SUMMARY                 	constrain lipoate metabolism and protein lipoylation required for the operation
ST:STUDY_SUMMARY                 	of the tricarboxylic acid (TCA) cycle in the mitochondria, leading to incomplete
ST:STUDY_SUMMARY                 	glucose oxidation with an exit of acetyl-CoA and -ketoglutarate from the TCA
ST:STUDY_SUMMARY                 	cycle to the syntheses of amino acids, such as arginine and leucine. This
ST:STUDY_SUMMARY                 	mitochondrial SAM-induced response, namely mitoSIR, promotes cell fitness
ST:STUDY_SUMMARY                 	through the coordination of mitochondrial fuel metabolism with the nitrogenic
ST:STUDY_SUMMARY                 	synthesis of amino acids.
ST:INSTITUTE                     	Life Sciences Institute, ZheJiang University
ST:LAST_NAME                     	Cunqi
ST:FIRST_NAME                    	Ye
ST:ADDRESS                       	866 Yuhangtang Rd, Hangzhou 310058, P.R. China
ST:EMAIL                         	yecunqi@zju.edu.cn
ST:PHONE                         	15267181160
#SUBJECT
SU:SUBJECT_TYPE                  	Yeast
SU:SUBJECT_SPECIES               	Saccharomyces cerevisiae
SU:TAXONOMY_ID                   	4932
SU:GENOTYPE_STRAIN               	CEN.P.K
#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           	-	met6KO_0h_1	Sample Type:0h	RAW_FILE_NAME=met6KO_0h_1.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_0h_2	Sample Type:0h	RAW_FILE_NAME=met6KO_0h_2.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_0h_3	Sample Type:0h	RAW_FILE_NAME=met6KO_0h_3.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_2h_1	Sample Type:2h	RAW_FILE_NAME=met6KO_2h_1.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_2h_2	Sample Type:2h	RAW_FILE_NAME=met6KO_2h_2.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_2h_3	Sample Type:2h	RAW_FILE_NAME=met6KO_2h_3.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_4h_1	Sample Type:4h	RAW_FILE_NAME=met6KO_4h_1.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_4h_2	Sample Type:4h	RAW_FILE_NAME=met6KO_4h_2.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_4h_3	Sample Type:4h	RAW_FILE_NAME=met6KO_4h_3.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_6h_1	Sample Type:6h	RAW_FILE_NAME=met6KO_6h_1.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_6h_2	Sample Type:6h	RAW_FILE_NAME=met6KO_6h_2.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_6h_3	Sample Type:6h	RAW_FILE_NAME=met6KO_6h_3.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_15h_1	Sample Type:15h	RAW_FILE_NAME=met6KO_15h_1.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_15h_2	Sample Type:15h	RAW_FILE_NAME=met6KO_15h_2.wiff
SUBJECT_SAMPLE_FACTORS           	-	met6KO_15h_3	Sample Type:15h	RAW_FILE_NAME=met6KO_15h_3.wiff
#COLLECTION
CO:COLLECTION_SUMMARY            	Care was taken to quench cells quickly in -40℃ and maintain metabolites in
CO:COLLECTION_SUMMARY            	acid to minimize oxidation
CO:SAMPLE_TYPE                   	Yeast cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Mutant MET6KO cells were cultured in SD medium with the supplements of Met and
TR:TREATMENT_SUMMARY             	growed to log phase, then cells were washed with normal SD medium and
TR:TREATMENT_SUMMARY             	re-cultured in SD medium
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Briefly, equal OD units of cells were rapidly quenched to stop metabolism by
SP:SAMPLEPREP_SUMMARY            	addition into 4 volumes of quenching buffer containing 60% methanol and 10 mM
SP:SAMPLEPREP_SUMMARY            	Tricine, pH 7.4 that was pre-cooled to -40°C. 5 min after holding at -40°C,
SP:SAMPLEPREP_SUMMARY            	cells were spun at 5,000 g for 3 min at 0°C, washed with the same buffer, and
SP:SAMPLEPREP_SUMMARY            	then resuspended in 1 mL extraction buffer containing 75% ethanol and 0.5 mM
SP:SAMPLEPREP_SUMMARY            	Tricine, pH 7.4. Intracellular metabolites were extracted by incubating at 75°C
SP:SAMPLEPREP_SUMMARY            	for 3 min, followed by chilling on ice for 5 min. Samples were spun at 20,000 g
SP:SAMPLEPREP_SUMMARY            	for 1 min to pellet cell debris, and 0.9 mL of the supernatant was transferred
SP:SAMPLEPREP_SUMMARY            	to a new tube. After a second spin at 20,000 g for 10 min, 0.8 mL of the
SP:SAMPLEPREP_SUMMARY            	supernatant was transferred to a new tube. Metabolites in the extraction buffer
SP:SAMPLEPREP_SUMMARY            	were dried using a vacuum concentrator system (Labconco) and stored at -80°C
SP:SAMPLEPREP_SUMMARY            	until analysis. Dried metabolite extracts were resuspended in 60% acetonitrile
SP:SAMPLEPREP_SUMMARY            	for injection.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Low pH polar
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Shimadzu 20AD
CH:COLUMN_NAME                   	Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um)
CH:SOLVENT_A                     	20 mM ammonium carbonate and 0.1% (v/v) ammonium hydroxide
CH:SOLVENT_B                     	acetonitrile
CH:FLOW_GRADIENT                 	0.01 min 80% B, 20 min 20% B, 20.5 min 80% B, 34 min 80% B.
CH:FLOW_RATE                     	0.15ml/min
CH:COLUMN_TEMPERATURE            	45
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500+
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	SCIEX OS
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak intensity
MS_METABOLITE_DATA_START
Samples	met6KO_0h_1	met6KO_0h_2	met6KO_0h_3	met6KO_2h_1	met6KO_2h_2	met6KO_2h_3	met6KO_4h_1	met6KO_4h_2	met6KO_4h_3	met6KO_6h_1	met6KO_6h_2	met6KO_6h_3	met6KO_15h_1	met6KO_15h_2	met6KO_15h_3
Factors	Sample Type:0h	Sample Type:0h	Sample Type:0h	Sample Type:2h	Sample Type:2h	Sample Type:2h	Sample Type:4h	Sample Type:4h	Sample Type:4h	Sample Type:6h	Sample Type:6h	Sample Type:6h	Sample Type:15h	Sample Type:15h	Sample Type:15h
Glyoxylic acid	25407.24246	24986.5724	17317.10998	26770.15027	21797.06114	20014.87905	24634.97331	31147.3733	24615.82164	23279.00171	16822.29345	18859.21448	29241.84106	26747.93717	26126.77602
Glycolate	7649.014012	7353.474631	5616.51433	11822.75516	11768.24683	3736.182774	7118.487372	3464.911923	12210.49851	3969.286731	4994.391928	3931.797558	3741.671386	5360.127403	13910.49453
Pyruvic acid	18510.85828	33371.09977	18735.69765	17521.03929	18597.4599	34362.03831	17858.1259	30576.50026	29415.52977	21031.07754	21942.21483	28208.51694	16584.14025	22512.50521	34062.1068
L-Lactic acid	1525277.893	1790656.379	1271707.073	1481280.985	1761864.205	1569890.373	1578692.193	2211492.04	1983169.043	1949017.334	1957885.782	1417903.912	2305032.318	3350484.92	2110753.867
acetoacetate	383186.6881	883016.3394	591948.7823	680155.3747	614275.7969	423780.8788	1076996.856	1120993.43	641756.0697	720359.1134	830760.9394	661957.5573	469072.3516	760920.5121	484769.3909
Glyceric acid	37720.4768	49343.21795	52298.75798	47412.61953	48273.40104	58521.27153	98358.57273	144538.0472	193360.8897	82597.1634	131678.8292	42796.03499	144212.3684	112718.5304	110493.6343
Uracil	605595.8838	1549214.305	1616035.117	359981.5369	319041.7609	766988.7958	8164275.928	9772534.73	10193470.39	14017897.21	17104037.21	1395124.723	12664483.85	11679895.61	11824530.65
Fumaric acid	171295.6984	249425.0934	443902.0781	230523.0183	126486.5449	376124.1702	1033258.165	1066301.716	1192424.261	1284025.993	1245064.052	267143.502	1149765.289	1187581.279	1083684.057
Maleic acid	564521.5212	1050112.046	761024.0268	537110.0088	603594.7886	894437.5218	611335.8368	648373.023	483074.951	435631.8581	824990.5549	756806.6678	1093312.51	835494.7793	759465.2412
Alpha-ketoisovaleric acid	171184.1479	288018.45	323254.3014	199759.9949	142685.1984	335986.3978	935391.0716	1132635.301	1220650.566	1206078.297	1257105.672	254610.465	1095361.809	1229546.81	1013186.855
Guanidoacetic acid	N/A	N/A	N/A	5578.119887	N/A	21760.01045	N/A	15747.7349	22203.4417	N/A	23921.38161	N/A	N/A	N/A	30309.84167
Succinic acid	467880.1017	422945.2145	631916.8863	598130.4226	448652.1579	1217356.684	1333286.794	1772211.321	2330247.569	1992729.995	1626099.943	570255.0009	2007958.09	1558016.299	1750664.211
Methylmalonic acid	533707.4577	459394.164	759467.9672	643181.0015	526659.8248	1391016.165	1522861.792	2122571.32	2689022.461	2235721.195	1845884.093	642866.6627	2296794.419	1821622.567	2031621.313
3-Methylthiopropionic acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Nicotinic acid	27591.85085	N/A	N/A	N/A	N/A	115880.6732	N/A	117145.3089	N/A	N/A	N/A	N/A	59877.38057	N/A	89889.06765
Taurine	20885.53429	61239.31908	16876.23789	21213.50068	32515.37283	20466.42817	12467.94849	32637.99179	126670.3208	13474.62793	13085.33316	17233.44748	31597.05222	29850.45703	35864.43568
Pyroglutamic acid	19505.7625	50181.72893	36035.61384	40757.99529	51530.91608	43413.03331	55189.2252	92576.99855	270012.5673	80695.7862	70399.73041	18055.76556	82538.56761	75894.75947	73804.32119
Citraconic acid	626213.5992	446672.4793	694440.2344	575451.3452	554862.3923	909561.0033	588830.4842	668627.5963	701920.0551	416054.4132	459763.2096	547554.7083	705655.782	701595.542	1094684.433
2-Ketohexanoic acid	25439.91808	52078.3476	41841.59706	9772.513152	14261.98794	18082.35321	25445.74345	27090.44524	27353.77666	24854.78049	24378.52058	32176.00037	19165.71129	20103.57375	26923.5902
N-Acetyl-L-alanine	16237.36642	28524.35137	16484.86798	12597.79057	18162.59618	17191.38527	37797.41649	42420.58817	191444.8315	64435.23855	46803.93849	17580.49306	69728.55203	54326.57949	53316.34345
Oxalacetic acid	19756.75338	23560.09273	10643.51818	37536.46475	17479.32064	20316.47588	29083.93518	44880.72924	29020.84406	25309.21873	24462.79516	23780.73114	25880.25965	61709.39825	17866.79018
Hydroxyisocaproic acid	54946.47399	31778.01155	24463.358	42064.71087	24178.96166	42007.35209	27910.07873	44618.80701	43168.81998	27307.56838	44446.98892	21546.29688	36386.82483	69607.60783	67616.02666
L-Malic acid	1347075.899	2510993.042	2976275.198	1826402.782	1662399.093	3798787.347	10219306.13	9897423.188	11687682.59	12014668.53	11477802.84	1803961.259	10744046.64	11841360.98	10761581.14
Hypoxanthine	38395.22106	89329.56732	92017.29327	77694.03262	54434.27559	175861.8665	3101464.801	3419843.731	3033036.243	6212557.449	7291154.95	77110.9148	5075233.958	4108284.719	4831019.74
p-Aminobenzoic acid	N/A	N/A	N/A	N/A	N/A	93818.34743	54472.07974	76196.14848	104837.0635	84819.48385	N/A	N/A	58862.95277	N/A	98622.9289
4-Hydroxybenzoic acid	186364.6532	288352.0576	161047.2882	288198.336	368618.7601	207105.3359	138789.1597	238032.8111	242165.5014	189076.4569	214417.4006	122899.5634	192761.7276	256079.0955	314979.6608
Acetylphosphate	144608.6527	383393.0749	347091.5468	279861.1618	219610.0777	398779.4035	216726.1885	324678.0096	173827.6759	159172.3083	281665.5021	350322.663	276709.2032	341518.6183	358858.773
Carbamoyl phosphate	47377.15208	115610.7955	66751.16265	143714.7262	135366.7724	296274.0087	1840431.452	2040710.471	1955404.044	2063646.723	2020003.174	47737.91682	1950486.39	2799681.54	2229253.545
Oxoglutaric acid	445344.6425	382171.655	159609.345	888040.4618	126080.8624	61782.01249	323516.4258	153329.5643	117891.6853	218897.6253	215931.8592	225409.2903	529415.7179	167851.8039	473211.023
Phenylpropiolic acid	77059.47847	74050.32948	98820.41009	137200.4651	71655.37801	77716.07874	130778.3779	82674.66675	N/A	44283.78223	126022.4008	82353.15426	164671.6316	58277.47088	86440.96987
2-Oxo-4-methylthiobutanoic acid	33281.69334	42451.95435	43547.85165	17987.08892	20755.77427	46531.87058	12753.57519	19626.77647	7935.357838	9527.146815	7104.447201	39105.44549	27924.89651	20956.72073	18816.71338
Citramalic acid	423239.7238	1068314.447	1001570.774	203600.4984	198013.907	321019.3724	242816.384	350831.9013	335965.9117	342537.4459	223964.57	842158.4207	357419.8127	128941.2695	199927.0743
3-Methylphenylacetic acid	36660.07398	55488.13498	177326.506	131165.4552	134797.6436	176593.0564	128233.8296	153450.5051	82405.89474	95073.62807	30855.88484	100294.3028	168693.7035	210717.3837	162728.3101
Xanthine	66824.3008	332879.9239	52003.13	129061.1111	121523.4107	44681.46605	896643.2226	1423602.971	2609554.585	1385741.436	1502910.366	60120.0906	855763.0132	814658.7641	1180456.929
Ortho-Hydroxyphenylacetic acid	100313.5689	67355.11529	114876.7894	62845.65677	72118.02108	127966.5676	51824.74498	117902.412	72740.86662	77214.69145	55400.08323	107647.8332	136926.3613	99127.28288	145001.3784
2,4-Dihydroxybenzoic acid	23765.40431	33318.17877	48845.74301	30737.31864	40838.33428	44220.27843	39943.74805	8969.964605	20220.10683	19921.70593	69231.00229	47199.71093	74133.29467	26399.58391	44026.32007
Orotic acid	1929974.27	4615109.206	4605137.235	802418.7	737993.2038	1582807.595	480888.6599	709856.9877	426243.5475	240790.5986	297970.799	3689404.212	87342.19147	112417.8689	105251.115
4,5-Dihydroorotic acid	173622.5865	182011.9212	242046.8301	208349.9276	125004.1042	218033.683	225915.3944	174369.3003	235683.8681	164536.6332	185960.8267	184888.8913	174854.5585	210160.3089	364574.5437
Allantoin	N/A	N/A	7284.392583	N/A	N/A	N/A	N/A	3345.549937	N/A	2620.385335	N/A	N/A	2946.823002	N/A	N/A
Aminoadipic acid	156688.9408	507117.7655	525222.4974	39249.08139	25883.10663	63267.77281	46966.95269	54370.72536	49525.45012	30091.89988	38378.48761	446090.0622	18943.79926	23420.65562	13098.42743
Indole-3-carboxylic acid	1734.524155	2506.209242	4407.13108	4269.35935	4006.997405	6449.537223	21572.15453	27200.61394	40212.50045	51233.60073	33433.69313	4949.865802	19464.80859	32291.25589	32109.88597
Phenylpyruvic acid	48486.05665	43218.27846	35095.42184	30748.63867	32130.11859	88511.52232	55433.52255	65801.37091	45941.58158	38326.72666	26769.57796	55355.35534	52368.10591	44937.38237	63235.19087
Vanillylmandelic acid	8227.673509	9226.049424	9922.284664	12415.16882	14010.17629	9897.606178	9091.051921	15427.96487	12538.67514	13467.91496	12009.99459	9383.844859	4506.038434	7179.506717	8872.338093
Phenyllactic acid	4435.47835	9079.181837	5423.27169	4806.859978	7720.454313	19599.1153	39742.84753	40269.79753	81864.83267	56108.70834	58752.9159	4067.698619	44767.2878	56600.73573	60800.06516
Quinolinic acid	89641.45847	149644.6108	187068.4198	153811.0613	150209.8708	257811.1829	425391.6518	480532.7721	515826.1846	465317.8903	486137.5042	123329.0754	413838.928	295110.1289	390516.5831
Phosphoenolpyruvic acid	85257.74311	104731.133	85516.00016	116668.4752	89573.83236	117823.0835	184485.6276	232354.7714	176111.2025	146968.6766	215896.391	70661.32466	126624.0152	75184.88468	68680.29362
Uric acid	228223.4991	164715.0761	268862.6552	149825.141	174375.5203	153318.4127	570075.7015	480709.2588	232879.2297	91907.90793	92818.27688	297031.987	183512.1595	1423523.228	377020.5074
Dihydroxyacetone phosphate	854372.8461	1076818.029	700175.8067	417525.0232	362675.0811	548436.3597	447941.6475	464350.754	383664.6213	366540.8078	216306.4246	708360.7046	217879.2069	140086.4792	211672.2415
D-Glyceraldehyde 3-phosphate	1171636.834	1356992.419	965457.7438	590103.013	484716.5703	754497.1463	550790.9119	560614.3645	487103.994	459571.3485	308266.2352	902559.916	316478.627	173114.8845	246476.0122
Glycerol 3-phosphate	180611.3435	301650.9475	118610.3808	70800.17571	57479.16023	45557.90441	58446.01447	78962.26228	410705.8304	76555.71778	68725.0426	101904.1777	65629.56665	48400.51246	62575.51821
Shikimic acid	1720.328566	8552.208364	3101.148611	N/A	N/A	N/A	N/A	3466.418885	2153.024526	3868.362561	N/A	3937.943662	2863.068897	N/A	N/A
cis-Aconitic acid	116537.995	239677.3469	297954.4476	134087.389	76997.19248	344325.4719	281541.8189	360274.0825	567598.8051	706898.2403	519795.0248	159825.777	2673652.998	3167117.81	3824006.232
Allantoic acid	37069.59912	99341.50911	103823.1505	48331.70875	59092.45281	101192.604	97778.26419	126517.1902	97973.55806	67930.14796	78983.73657	97784.71391	46994.21661	36142.33428	41305.73629
Ascorbic acid	33586.78558	61431.69147	34361.1101	39042.34733	43529.04462	49635.94392	30021.27123	68871.2968	88260.56286	51685.11814	34926.39869	36513.55395	85388.47663	52023.89442	82918.72848
2-Isopropylmalic acid	3319908.219	10004742.46	10752748.86	981005.8918	785959.8977	1900253.484	1399921.705	2038503.494	2560697.355	1421878.534	1570263.372	7949461.444	858226.85	622368.3965	836054.6836
Ureidosuccinic acid	39376.73178	79589.34722	72620.5689	13880.12382	14381.65731	25969.75131	7283.245161	12046.81025	7600.048398	7311.090669	5236.244467	54910.1039	927.4319532	2423.14853	3610.26664
Pyrophosphate	82979.84845	162721.5113	137767.9677	46418.57456	40339.01024	68280.17427	96090.3592	109946.3377	83578.73523	103700.2612	73093.94224	97927.46165	112745.7539	76683.98	66969.30269
Gluconolactone	8186.312993	1523.40547	2347.366408	2046.759453	3665.762867	8866.055699	2564.008808	4684.760394	9341.947544	N/A	13608.62608	4089.750901	3185.746324	2736.997113	2741.7847
myo-Inositol	99423917.67	87129307.51	85657654.19	89568829	87431231.49	93287368.58	96987947.69	104071076	85506872.62	85878264.81	87386115.11	80714931.32	95825163.69	103750010.1	91077718.67
4-Hydroxyphenylpyruvic acid	4646.698714	2526.991382	N/A	N/A	3879.681905	4679.87623	6033.25631	N/A	6098.138672	4479.563056	2780.364201	5774.517597	N/A	6342.723511	3729.886662
L-Homocysteic acid	985.769862	10775.2917	5580.02034	13103.87718	20613.5238	36673.47861	75781.55086	96067.28645	96125.59139	41308.90233	75999.92591	5419.542354	33231.33355	42908.24796	29122.89646
4-Pyridoxic acid	219178.0689	196864.7625	1270298.276	193358.4838	1052977.549	241227.2383	273248.9211	519053.8023	290146.2994	424963.5103	608482.24	215377.881	484031.489	232537.217	329942.539
3-Phosphoglyceric acid	21541.95963	6605.936036	5406.678362	5395.062742	25294.21669	10764.88621	5594.424012	6615.137993	5587.512888	4097.977993	2202.179203	3319.306782	10125.22469	7223.272823	8031.009759
Indoleacrylic acid	79183.24988	64014.01696	76159.71175	163205.1726	119486.1291	368997.1307	149064.4357	38522.75706	38789.52554	42505.02549	69963.3404	47232.7403	78230.70868	94749.64427	150132.1127
Kynurenic acid	460907.3833	1027565.943	1154159.211	407072.4599	337133.0027	608216.5394	1377735.705	1186774.861	844724.256	1406139.358	1146073.509	1089428.028	853256.9322	898465.0858	1053752.344
NA	207594.8676	232258.8384	396666.2617	34561.68207	35985.64921	164845.7372	56102.41392	207665.1836	630950.5658	434790.9565	346294.9517	286998.9862	169768.059	601416.8692	723134.7543
Isocitric acid	93614.79712	25571.06544	13702.66248	21671.63643	11223.36082	27431.42896	20213.8496	31614.46659	9721.077083	19743.69219	7059.834275	34498.87848	23184.54892	8866.362324	N/A
Citric acid	71601.68188	533680.7209	370281.1449	21981.35867	209666.0201	892830.9509	N/A	1881168.372	232922.0786	N/A	N/A	99556.63434	N/A	N/A	46868.69841
2-Keto-L-gluconate	9034.673313	17441.04368	24882.84279	4949.456449	10048.03523	8185.819497	6120.637167	21323.25494	17604.55318	9785.837448	16751.32192	29221.90548	8638.887863	7333.231173	8938.168483
Gluconic acid	499666.9101	621984.094	995556.4577	265298.7171	300580.0529	342862.0343	240651.0118	554384.36	552843.8262	200400.601	246421.2243	851008.8661	131145.8522	167530.9928	254906.619
D-Erythrose 4-phosphate	315175.6835	613391.098	544637.144	377880.2618	352754.7194	658900.1149	425187.3022	526897.326	315129.6852	287355.2564	442955.1974	468715.7384	482949.4801	499204.3062	492172.0789
Xanthurenic acid	39424.12855	56950.13289	17209.14783	28802.64025	10948.76812	31875.60271	16755.98089	N/A	15833.36836	13260.34738	14179.12786	N/A	N/A	N/A	18725.84132
(R)-lipoic acid	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	2831.446324	N/A	N/A	N/A	N/A	N/A	N/A
Glucaric acid	5124.285029	6413.202732	9116.817865	6011.447718	3218.886928	6809.4495	7888.009119	6982.557319	15368.72501	15593.80129	23114.83357	3068.794098	33806.10912	38878.5115	31777.88901
Deoxyribose 1-phosphate	37393.30334	82286.22871	121990.7023	36970.8137	31797.25338	106814.8525	146672.2292	278124.6798	206581.9513	231048.1674	187222.5962	85224.62207	185306.4377	163558.195	172719.5514
Pantothenic acid	66655.94055	113843.9464	109899.1003	186875.4664	181303.2398	355661.3443	294309.3959	364079.9696	724037.7413	236269.1574	276148.5865	121541.1492	137736.5452	138543.041	159410.5734
Prephenate	N/A	2739.738965	2504.880628	N/A	2107.989259	N/A	2431.227316	N/A	N/A	N/A	N/A	N/A	N/A	3597.705068	2622.132476
Deoxyuridine	40982.10174	42514.60721	35849.95991	34489.07627	36480.29825	50230.76186	37020.25712	37146.24937	32729.763	26300.45126	42359.87881	44101.30652	53054.10987	43581.60358	41758.02882
Ribose 1-phosphate	325190.4095	575594.8706	540110.6358	291004.31	260291.7046	436701.2697	618614.7159	762865.7059	723505.8541	750978.568	712685.9409	508119.4709	528987.4921	442743.3458	401908.9524
Thymidine	9534.072832	6240.267307	16319.2662	4600.412112	8461.89012	9345.273588	8907.372333	15970.5223	9420.958335	8511.771999	9492.43356	3842.450507	11734.69765	14384.73617	14920.81409
Uridine	1431.964475	2604.032356	5827.278113	3841.973797	10006.90974	15563.76048	209266.4938	263599.8241	282183.2042	399025.5625	488888.6803	3211.240387	355338.4909	323222.6262	335504.1703
Deoxyinosine	N/A	N/A	N/A	3281.625488	N/A	N/A	N/A	4595.248991	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Shikimate 3-phosphate	321637.8865	327620.1828	470437.1449	20075.05907	30273.25313	86846.82029	13314.76177	154136.4872	458512.1969	312037.1198	219233.982	219954.2384	149040.4987	394304.0316	416461.6724
6-Phosphonoglucono-D-lactone	7171.900069	14853.942	17595.06002	4193.601366	12837.04606	22182.8235	16284.96352	26697.66966	18567.81762	13979.66636	13942.47628	17442.20467	9617.951331	12101.97586	30570.43918
hexose-phosphate	3957920.532	7336488.294	6649425.776	4583205.095	4220776.869	6766418.632	4703586.961	6524379.896	4328419.833	3676912.046	4954433.057	5778806.821	5466351.572	5557960.433	5886869.583
Glucose 1-phosphate	32712.58953	100247.0912	76445.20738	62136.89254	45474.30233	99517.70131	91104.64049	114738.9251	93493.54734	86628.2644	99226.35234	105882.3417	106984.2353	111866.3859	91608.23191
Glucose 6-phosphate	494424.7874	915666.9141	889305.6247	539887.797	541644.6534	925822.9739	591274.0408	818823.547	534880.0008	493809.1186	628012.5476	743544.0027	726931.9094	745857.7847	822779.3514
Fructose 6-phosphate	501083.402	1017856.601	983080.7198	586241.7412	511286.088	995331.9274	559347.694	744713.2454	517556.1768	468390.7717	609346.4943	778810.5018	727897.7016	755221.0706	766466.4168
Glyceric acid 1,3-biphosphate	2830582.089	1680851.696	4404352.599	1873658.36	2436143.773	5151850.12	2775523.531	3428077.672	1769170.942	2324156.631	1416422.942	4119324.748	3854214.075	3735443.643	3887761.534
2,3-Diphosphoglyceric acid	17505.43897	12123.36701	5233.674946	11991.63101	14926.23901	14378.03175	20140.35333	21283.90812	22705.10078	16170.79928	7039.881289	4341.975731	14405.90611	31150.86212	24870.75886
S-Ribosyl-L-homocysteine	106455.6427	79844.37904	77054.11888	62068.86194	40267.5871	57659.55667	77337.43869	108371.7598	1345098.479	90952.90886	72666.42249	79513.86954	41211.2768	53606.12663	115262.3212
Inosine	160878.3302	443449.235	364593.6588	306173.537	291192.1128	701041.9418	12424705.58	15331938.1	16337305.7	23351025.5	28042368.9	337431.0993	19871261.73	17652546.55	20665874.18
6-Phosphogluconic acid	77837.2833	102223.8466	145155.846	24262.22994	53201.17324	54380.32	50021.80288	30921.77172	163942.4848	47427.00247	51560.2123	70014.00127	15054.95409	34911.03741	22521.30117
Xanthosine	48985.59447	110025.0046	60375.74971	32163.51802	24380.53096	51088.11261	835160.663	905919.9181	1205721.898	878734.6852	1116076.072	61896.36878	433338.8352	395462.2783	403519.6184
Sedoheptulose 1,7-bisphosphate	543542.7802	978382.9149	902426.028	605829.7142	497729.0668	896472.4482	738162.9284	1077020.07	416745.6936	420260.7244	744651.6446	767950.5378	1032905.386	1011462.2	765615.241
N-Acetyl-glucosamine 1-phosphate	126211.4576	207850.9666	172988.037	105681.287	85414.02913	141749.3437	167800.0978	185992.0987	220429.7568	208903.7482	173642.9138	168822.1017	262989.4786	200233.9224	247624.7427
Glutathione	5113667.03	11880329.55	8188631.172	2257580.05	2097896.263	4548708.198	6464659.527	7644724.005	6467557.161	8729260.556	4329992.057	13818593.02	4981130.758	2694836.346	4794578.417
dUMP	9655.531229	6824.383343	8757.050557	6031.317627	4345.162834	7803.414459	7914.063324	3693.664081	4842.453411	3792.349727	7674.696007	9521.038138	5751.184543	4519.082609	3232.818488
Geranyl-PP	N/A	N/A	5568.514745	3644.561783	6250.948108	4628.781735	5117.959258	3567.678669	N/A	N/A	2999.620645	3572.688855	3962.947818	3513.953569	4262.720404
Octulose?8-Phosphate	103043.5366	170568.8706	139973.0336	70652.40482	88828.45114	123186.6944	108177.8416	144133.047	107054.44	79362.16648	110230.3249	141321.9711	69201.01734	79112.01443	74444.98463
5-Thymidylic acid	14713.6331	16758.65628	10427.54215	12614.81887	16152.22314	20963.52902	20011.50415	14029.11841	45935.85949	14791.12669	14987.97556	8684.894102	9634.270591	7523.095129	17471.98955
Cyclic AMP	57009.22142	74650.16408	63221.89067	111893.1641	106430.7855	72749.74133	200065.0755	221906.9784	3003869.407	223249.7229	149624.9016	70010.89917	94254.95015	110078.6539	233781.6758
Fructose 1,6-bisphosphate	20556.76682	2835.618006	11842.7945	5337.986759	10250.99626	6472.630647	8889.759519	18183.16736	13726.19635	4418.244411	19459.33139	10294.78778	13907.37759	22194.03573	12902.86077
Sucrose	1013897.511	1868892.335	1745346.5	7618343.966	6614294.088	14649081.6	87645492.2	103148590.2	112543568.1	132586781.2	115474466.7	1454030.332	218335048.2	191260042.6	209195008.2
Trehalose	978608.3531	1821784.735	1986513.831	8380397.035	6820571.768	15636539.34	88050721.6	102113208.7	113196920	141290130	133378613.2	1608310.919	217711612.2	188312548.8	193283757.3
Cellobiose	6609.869772	2708.928791	2530.5311	3702.54428	10331.2394	4184.223209	15182.77249	18182.63949	23019.43202	21900.12767	22462.60112	6781.060331	40485.81842	28003.35473	32583.12098
Orotidylic acid	50906.03936	77182.32544	97758.12461	165175.8196	94031.67668	146438.6951	101348.6328	65689.88423	52033.26002	52202.62123	135487.2732	180174.9882	146291.4743	150861.4135	59454.67653
Farnesyl-PP	12576.69132	13396.93399	5569.664202	4358.063393	1852.104585	8032.611659	2597.169521	11229.97312	5824.439505	4220.741236	7622.536874	7921.620546	11250.86673	12124.99461	14962.77822
S-Adenosylhomocysteine	1106741.63	2337504.818	1976350.806	694031.8309	504800.4929	916812.5348	1654038.602	1884906.951	1954829.615	1946518.809	1666299.724	1726308.199	1353346.982	1015993.457	1231008.913
dCDP	9437.242546	15105.35674	14813.60181	14293.26886	13746.78541	16183.78625	11023.4604	19911.2708	20460.19839	15104.60273	14006.8106	10763.27019	14554.581	11061.5735	16123.14524
Phosphoribosyl pyrophosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Deoxycholic acid	3253.327413	2972.836695	4348.935282	5099.301634	10406.8093	6067.823159	4984.798516	7260.187697	N/A	2943.159524	4465.615563	6359.728688	4055.042661	5961.494151	6482.139794
octulose-1_8-bisphosphate	74232.27323	57981.76487	129703.0807	62679.8329	86399.16907	146961.3017	65970.69808	129721.1198	59858.3854	70545.00647	62331.23972	117923.388	104606.571	112322.3118	114167.9412
dTDP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
CDP	9548.217932	4280.37451	2263.516879	5406.648483	6145.322937	9091.612519	4529.767035	12301.09194	22422.98918	7024.737366	6941.328975	2774.922918	9270.105647	18211.42324	27249.36743
Uridine 5'-diphosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Cholic acid	5845.793094	3834.116092	2346.762219	6478.084711	6302.109411	4325.425449	9241.969057	9969.651439	6196.976152	6771.158464	4834.70003	10896.04675	N/A	8196.338235	4770.945106
Trehalose 6-phosphate	90789.57182	116715.5216	87029.67203	352746.267	335926.6189	415120.3329	340260.3489	372718.024	195455.2798	172902.5934	241825.0462	83794.5162	200656.3573	220593.1197	184229.5302
Thiamine pyrophosphate	5171.556422	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	91039.9363	N/A	N/A	120040.1335	N/A
Adenosine phosphosulfate	5601.635227	6193.847175	3275.874064	3010.129187	3190.787982	7232.763821	3536.405256	1640.907505	3843.508631	4652.809619	N/A	3555.491885	4371.797901	2691.764482	7838.052592
ADP	1309557.335	1676961.851	1395972.743	1621551.353	1624681.822	2088464.301	2149132.434	2971515.295	2747298.439	2349244.736	2197418.46	1268981.814	2055843.11	2150849.629	1841046.24
dGDP	945968.2245	1255522.853	1009360.308	1197387.124	1144861.429	1495871.926	1634729.5	2407923.72	2042785.238	1777350.113	1745205.457	929216.045	1540880.835	1749850.251	1476596.813
IDP	202832.3383	274713.5689	223496.9987	253822.9742	248576.367	348104.4804	386282.6629	519141.9389	427807.7444	384454.9719	369519.0349	225073.3216	332722.5309	334223.3928	343666.8763
Guanosine diphosphate	N/A	1875.194366	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	4159.033764	N/A	2573.345048	N/A	N/A
CDP-Ethanolamine	867.0993059	5546.799714	3795.653988	4046.583656	3744.363921	3749.378663	7572.097523	11324.06801	8465.423974	10241.89716	15926.68098	2064.413848	15337.90803	12680.66531	15607.07613
Flavin Mononucleotide	42165.91245	45924.83924	45656.10589	38726.98496	34505.87218	37451.23584	38972.98185	43991.06264	45018.33506	39173.59503	35375.74021	31711.96746	20937.35526	28836.88935	23844.45454
Cholesterol sulfate	283965.4239	287287.0145	318422.6039	286686.9794	441668.0381	265879.3631	240733.2213	338558.8927	316278.9925	847549.7358	321223.5068	276183.3723	525413.5699	309672.5172	497555.1925
dCTP	N/A	N/A	N/A	2966.200125	N/A	N/A	N/A	N/A	N/A	N/A	4313.332514	N/A	3754.230595	N/A	2134.416163
Deoxyuridine triphosphate	N/A	N/A	N/A	N/A	N/A	2121.501129	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Thymidine 5'-triphosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Cytidine triphosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Uridine triphosphate	59208.57643	77515.00793	120413.0743	181445.5958	147301.2323	374091.6637	191050.967	328657.3469	127019.3266	253324.8138	186518.6249	44496.4633	195083.4996	125407.4103	337245.3144
Citicoline	14837.13594	11917.64714	15360.60647	9127.742567	15035.37065	12915.59121	22087.38307	31225.52659	32367.7629	24003.18994	28649.15549	11612.5115	22976.66676	13165.83968	17970.42511
Deoxyadenosine triphosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Taurodeoxycholic acid	N/A	2267.746793	2958.964171	3036.314874	N/A	5665.971225	N/A	11869.08674	3245.931308	7012.812676	N/A	3289.274102	3617.792533	4298.500967	4045.874768
Adenosine triphosphate	173708.6786	468140.4877	209129.7465	1165262.531	1077710.61	1292093.77	370991.0643	378882.8784	1350333.156	513311.1037	107225.9849	286267.8267	533905.9539	726643.1207	818478.8072
dGTP	357974.736	379222.4113	179401.1361	1246957.718	1590460.785	89794.11324	258170.3111	386328.6976	1742365.497	715902.6246	643453.4188	78827.82495	309900.9631	225409.782	620714.9909
Guanosine triphosphate	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	2245.799177
Uridine diphosphate glucose	1639795.807	1863343.827	1616736.919	2093493.112	1921516.049	2583596.84	4377498.25	4924261.051	4326839.468	4323176.878	4687407.806	1420923.211	5990381.44	5495212.381	5271309.902
Uridine diphosphate glucuronic acid	N/A	N/A	N/A	N/A	2695.968241	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
ADP-glucose	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	3384.594413	N/A	N/A	N/A	N/A	N/A	N/A
Guanosine 3',5'-bis(diphosphate)	2953.380494	N/A	3819.435459	2319.511212	N/A	2307.633417	N/A	2916.597862	N/A	N/A	N/A	N/A	2841.608013	3959.014176	N/A
Uridine diphosphate-N-acetylglucosamine	916155.2114	1107297.079	1097343.991	952845.507	844256.1009	1226615.868	1042834.509	1046480.991	1058763.388	1005801.224	916524.7538	828646.1882	1220624.758	1061520.931	1072753.784
Oxidized glutathione	4477292.041	7764270.462	10552251.11	4139689.549	3430606.877	6771474.725	7051621.666	8514999.982	11662613.23	10002374.18	10844325.55	6410264.037	5314732.147	7924905.317	6799593.735
NAD	13797402.59	14101429.46	14197420	16454278.83	14410813.02	11787624.38	19465994.86	21896771.69	16561092.9	17080611.66	20552737.52	12349301.26	18007939.87	19763907.91	16523587.01
NADH	798325.307	1033663.362	902260.6153	569441.8731	583599.9039	1002874.722	1093006.191	860162.4944	1275260.584	1253087.037	1164195.136	1125543.039	466862.9862	481957.0255	576331.2446
Dephospho-CoA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Cyclic-Di-GMP	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
NADP	822825.8664	998699.2902	846070.479	1287491.541	1159342.045	1246876.174	1139300.035	1561607.415	1160112.679	1003828.119	772361.3884	668969.7792	944012.9744	1208459.821	938202.8951
NADPH	11765.71853	26186.30476	28357.36405	40745.36911	26624.62733	73155.50086	30663.84186	47052.12525	76630.93968	55025.7353	36567.05233	19732.57334	19399.13627	25351.80114	17783.22882
Coenzyme A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
acetyl-CoA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Propionyl-CoA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Butyryl-CoA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Acetoacetyl-CoA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
Malonyl-CoA	N/A	N/A	N/A	3642.124235	N/A	N/A	2135.100097	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
3-Hydroxybutyryl-CoA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
succinyl-CoA	2338.079831	N/A	4936.408732	2252.222392	N/A	N/A	N/A	3563.319829	4270.932607	N/A	2486.234564	2204.355163	N/A	5786.98459	4350.731388
3-Hydroxy-3-methylglutaryl-CoA	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
2-deoxyglucose-6-phosphate	N/A	2192.182451	N/A	1926.759455	N/A	N/A	N/A	N/A	1896.491417	N/A	4286.763687	2704.219185	2506.608888	N/A	N/A
D-2-Hydroxyglutarate	809250.8443	1677127.336	1560537.069	321985.1706	285911.713	489335.7071	736079.2449	805412.8451	869992.6567	745234.3831	527490.6367	1273013.12	706090.7368	376554.7901	457807.052
13C-Serine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
13C-Methionine	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A
13C-taurine	6112.117711	8292.282112	3509.141268	4838.212471	3368.683232	8951.648108	3949.495648	6229.677361	4089.401171	6018.511161	4516.362417	3262.371225	N/A	2923.002729	7154.972893
13C-Xanthine	N/A	N/A	N/A	N/A	N/A	N/A	2412.675341	N/A	N/A	N/A	N/A	2543.000622	N/A	3284.943158	N/A
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Glyoxylic acid
Glycolate
Pyruvic acid
L-Lactic acid
acetoacetate
Glyceric acid
Uracil
Fumaric acid
Maleic acid
Alpha-ketoisovaleric acid
Guanidoacetic acid
Succinic acid
Methylmalonic acid
3-Methylthiopropionic acid
Nicotinic acid
Taurine
Pyroglutamic acid
Citraconic acid
2-Ketohexanoic acid
N-Acetyl-L-alanine
Oxalacetic acid
Hydroxyisocaproic acid
L-Malic acid
Hypoxanthine
p-Aminobenzoic acid
4-Hydroxybenzoic acid
Acetylphosphate
Carbamoyl phosphate
Oxoglutaric acid
Phenylpropiolic acid
2-Oxo-4-methylthiobutanoic acid
Citramalic acid
3-Methylphenylacetic acid
Xanthine
Ortho-Hydroxyphenylacetic acid
2,4-Dihydroxybenzoic acid
Orotic acid
4,5-Dihydroorotic acid
Allantoin
Aminoadipic acid
Indole-3-carboxylic acid
Phenylpyruvic acid
Vanillylmandelic acid
Phenyllactic acid
Quinolinic acid
Phosphoenolpyruvic acid
Uric acid
Dihydroxyacetone phosphate
D-Glyceraldehyde 3-phosphate
Glycerol 3-phosphate
Shikimic acid
cis-Aconitic acid
Allantoic acid
Ascorbic acid
2-Isopropylmalic acid
Ureidosuccinic acid
Pyrophosphate
Gluconolactone
myo-Inositol
4-Hydroxyphenylpyruvic acid
L-Homocysteic acid
4-Pyridoxic acid
3-Phosphoglyceric acid
Indoleacrylic acid
Kynurenic acid
NA
Isocitric acid
Citric acid
2-Keto-L-gluconate
Gluconic acid
D-Erythrose 4-phosphate
Xanthurenic acid
(R)-lipoic acid
Glucaric acid
Deoxyribose 1-phosphate
Pantothenic acid
Prephenate
Deoxyuridine
Ribose 1-phosphate
Thymidine
Uridine
Deoxyinosine
Shikimate 3-phosphate
6-Phosphonoglucono-D-lactone
hexose-phosphate
Glucose 1-phosphate
Glucose 6-phosphate
Fructose 6-phosphate
Glyceric acid 1,3-biphosphate
2,3-Diphosphoglyceric acid
S-Ribosyl-L-homocysteine
Inosine
6-Phosphogluconic acid
Xanthosine
Sedoheptulose 1,7-bisphosphate
N-Acetyl-glucosamine 1-phosphate
Glutathione
dUMP
Geranyl-PP
Octulose?8-Phosphate
5-Thymidylic acid
Cyclic AMP
Fructose 1,6-bisphosphate
Sucrose
Trehalose
Cellobiose
Orotidylic acid
Farnesyl-PP
S-Adenosylhomocysteine
dCDP
Phosphoribosyl pyrophosphate
Deoxycholic acid
octulose-1_8-bisphosphate
dTDP
CDP
Uridine 5'-diphosphate
Cholic acid
Trehalose 6-phosphate
Thiamine pyrophosphate
Adenosine phosphosulfate
ADP
dGDP
IDP
Guanosine diphosphate
CDP-Ethanolamine
Flavin Mononucleotide
Cholesterol sulfate
dCTP
Deoxyuridine triphosphate
Thymidine 5'-triphosphate
Cytidine triphosphate
Uridine triphosphate
Citicoline
Deoxyadenosine triphosphate
Taurodeoxycholic acid
Adenosine triphosphate
dGTP
Guanosine triphosphate
Uridine diphosphate glucose
Uridine diphosphate glucuronic acid
ADP-glucose
Guanosine 3',5'-bis(diphosphate)
Uridine diphosphate-N-acetylglucosamine
Oxidized glutathione
NAD
NADH
Dephospho-CoA
Cyclic-Di-GMP
NADP
NADPH
Coenzyme A
acetyl-CoA
Propionyl-CoA
Butyryl-CoA
Acetoacetyl-CoA
Malonyl-CoA
3-Hydroxybutyryl-CoA
succinyl-CoA
3-Hydroxy-3-methylglutaryl-CoA
2-deoxyglucose-6-phosphate
D-2-Hydroxyglutarate
13C-Serine
13C-Methionine
13C-taurine
13C-Xanthine
METABOLITES_END
#END