#METABOLOMICS WORKBENCH karthikvasan_20230907_134600 DATATRACK_ID:4297 STUDY_ID:ST002876 ANALYSIS_ID:AN004713
VERSION                          	1
CREATED_ON                       	09-27-2023
#PROJECT
PR:PROJECT_TITLE                 	High Level Expression of NSD2 Creates a Metabolic Dependency in Multiple Myeloma
PR:PROJECT_SUMMARY               	Multiple myeloma (MM) is a malignancy of plasma cells with several molecular
PR:PROJECT_SUMMARY               	subtypes and variable prognosis. Despite therapeutic advances, most patients
PR:PROJECT_SUMMARY               	ultimately relapse due to drug resistance. Frontline treatments for MM target
PR:PROJECT_SUMMARY               	malignant cells based on their differentiated B cell nature, but not the
PR:PROJECT_SUMMARY               	underlying genetic lesions. Chromosomal translocation t(4;14), observed in 15%
PR:PROJECT_SUMMARY               	of MM patients, results in overexpression of the histone methyltransferase NSD2,
PR:PROJECT_SUMMARY               	which contributes to MM pathogenesis by promoting an oncogenic transcriptional
PR:PROJECT_SUMMARY               	program and is associated with a worse prognosis. A genome-wide CRISPR based
PR:PROJECT_SUMMARY               	functional screen in isogenic MM cell lines with high and low NSD2 expression
PR:PROJECT_SUMMARY               	identified the mitochondrial enzyme adenylate kinase 2 (AK2) as a NSD2-driven MM
PR:PROJECT_SUMMARY               	cell dependency. AK2 loss in t(4;14) MM cells induced apoptosis and inhibited
PR:PROJECT_SUMMARY               	cell growth in vitro and in vivo. Consistent with a defect in shuttling ATP from
PR:PROJECT_SUMMARY               	the mitochondria to intracellular utilization sites, AK2 depletion impaired
PR:PROJECT_SUMMARY               	ATP-dependent protein folding in the ER and increased MM cell sensitivity to the
PR:PROJECT_SUMMARY               	proteasome inhibitor bortezomib. Furthermore, AK2 suppression decreased
PR:PROJECT_SUMMARY               	intracellular NAD(H) phosphorylation resulting in lower NADP(H) levels.
PR:PROJECT_SUMMARY               	Cytosolic NADPH is necessary for reducing thioredoxin, an essential cofactor for
PR:PROJECT_SUMMARY               	ribonucleotide reductase which is critical for deoxyribonucleotides (dNTP)
PR:PROJECT_SUMMARY               	synthesis. Consequently, AK2 deficiency in MM cells resulted in dNTP pool
PR:PROJECT_SUMMARY               	depletion and induced DNA replication stress. Creatine phosphorylation by
PR:PROJECT_SUMMARY               	mitochondrial creatine kinase is an alternative route for shuttling ATP from the
PR:PROJECT_SUMMARY               	mitochondria to the cytosol. Metabolomics analysis revealed decreased levels of
PR:PROJECT_SUMMARY               	creatine and accumulation of its precursor guanadoacetate in NSD2 high cells, in
PR:PROJECT_SUMMARY               	association with elevated levels of S-adenosyl homocysteine (SAH) indicating
PR:PROJECT_SUMMARY               	consumption of the carbon donor S-Adenosyl methionine (SAM). This along with the
PR:PROJECT_SUMMARY               	6-fold increase in genome wide H3K36me2 levels and 40% increase in DNA
PR:PROJECT_SUMMARY               	methylation levels in NSD2 high cells suggested that overexpression of NSD2
PR:PROJECT_SUMMARY               	redirected one-carbon metabolism to the epigenome and away from the
PR:PROJECT_SUMMARY               	SAM-dependent creatine synthesis. Therefore, decreased creatine levels in NSD2
PR:PROJECT_SUMMARY               	overexpressing cells underlie the increased reliance on AK2. Correspondingly,
PR:PROJECT_SUMMARY               	supplementation with exogenous creatine restored NADP(H) levels and rescued AK2
PR:PROJECT_SUMMARY               	deficient cells from apoptosis. These findings revealed a novel metabolic
PR:PROJECT_SUMMARY               	susceptibility in t(4;14) MM and provided insight into a novel therapeutic
PR:PROJECT_SUMMARY               	strategy to improve patient prognosis.
PR:INSTITUTE                     	Northwestern University
PR:LAST_NAME                     	Licht
PR:FIRST_NAME                    	Jonathan
PR:ADDRESS                       	2033 MOWRY RD STE 145 GAINESVILLE FL 32610
PR:EMAIL                         	jdlicht@ufl.edu
PR:PHONE                         	(352) 273-8143
PR:DOI                           	http://dx.doi.org/10.21228/M89D97
#STUDY
ST:STUDY_TITLE                   	High Level Expression of NSD2 Creates a Metabolic Dependency in Multiple Myeloma
ST:STUDY_SUMMARY                 	Multiple myeloma (MM) is a malignancy of plasma cells with several molecular
ST:STUDY_SUMMARY                 	subtypes and variable prognosis. Despite therapeutic advances, most patients
ST:STUDY_SUMMARY                 	ultimately relapse due to drug resistance. Frontline treatments for MM target
ST:STUDY_SUMMARY                 	malignant cells based on their differentiated B cell nature, but not the
ST:STUDY_SUMMARY                 	underlying genetic lesions. Chromosomal translocation t(4;14), observed in 15%
ST:STUDY_SUMMARY                 	of MM patients, results in overexpression of the histone methyltransferase NSD2,
ST:STUDY_SUMMARY                 	which contributes to MM pathogenesis by promoting an oncogenic transcriptional
ST:STUDY_SUMMARY                 	program and is associated with a worse prognosis. A genome-wide CRISPR based
ST:STUDY_SUMMARY                 	functional screen in isogenic MM cell lines with high and low NSD2 expression
ST:STUDY_SUMMARY                 	identified the mitochondrial enzyme adenylate kinase 2 (AK2) as a NSD2-driven MM
ST:STUDY_SUMMARY                 	cell dependency. AK2 loss in t(4;14) MM cells induced apoptosis and inhibited
ST:STUDY_SUMMARY                 	cell growth in vitro and in vivo. Consistent with a defect in shuttling ATP from
ST:STUDY_SUMMARY                 	the mitochondria to intracellular utilization sites, AK2 depletion impaired
ST:STUDY_SUMMARY                 	ATP-dependent protein folding in the ER and increased MM cell sensitivity to the
ST:STUDY_SUMMARY                 	proteasome inhibitor bortezomib. Furthermore, AK2 suppression decreased
ST:STUDY_SUMMARY                 	intracellular NAD(H) phosphorylation resulting in lower NADP(H) levels.
ST:STUDY_SUMMARY                 	Cytosolic NADPH is necessary for reducing thioredoxin, an essential cofactor for
ST:STUDY_SUMMARY                 	ribonucleotide reductase which is critical for deoxyribonucleotides (dNTP)
ST:STUDY_SUMMARY                 	synthesis. Consequently, AK2 deficiency in MM cells resulted in dNTP pool
ST:STUDY_SUMMARY                 	depletion and induced DNA replication stress. Creatine phosphorylation by
ST:STUDY_SUMMARY                 	mitochondrial creatine kinase is an alternative route for shuttling ATP from the
ST:STUDY_SUMMARY                 	mitochondria to the cytosol. Metabolomics analysis revealed decreased levels of
ST:STUDY_SUMMARY                 	creatine and accumulation of its precursor guanadoacetate in NSD2 high cells, in
ST:STUDY_SUMMARY                 	association with elevated levels of S-adenosyl homocysteine (SAH) indicating
ST:STUDY_SUMMARY                 	consumption of the carbon donor S-Adenosyl methionine (SAM). This along with the
ST:STUDY_SUMMARY                 	6-fold increase in genome wide H3K36me2 levels and 40% increase in DNA
ST:STUDY_SUMMARY                 	methylation levels in NSD2 high cells suggested that overexpression of NSD2
ST:STUDY_SUMMARY                 	redirected one-carbon metabolism to the epigenome and away from the
ST:STUDY_SUMMARY                 	SAM-dependent creatine synthesis. Therefore, decreased creatine levels in NSD2
ST:STUDY_SUMMARY                 	overexpressing cells underlie the increased reliance on AK2. Correspondingly,
ST:STUDY_SUMMARY                 	supplementation with exogenous creatine restored NADP(H) levels and rescued AK2
ST:STUDY_SUMMARY                 	deficient cells from apoptosis. These findings revealed a novel metabolic
ST:STUDY_SUMMARY                 	susceptibility in t(4;14) MM and provided insight into a novel therapeutic
ST:STUDY_SUMMARY                 	strategy to improve patient prognosis. We performed metabolomic analysis of
ST:STUDY_SUMMARY                 	multiple myeloma cell lines with either high or low NSD2 levels with or without
ST:STUDY_SUMMARY                 	NSD2 knockdown.
ST:INSTITUTE                     	University of Florida
ST:LAST_NAME                     	Licht
ST:FIRST_NAME                    	Jonathan
ST:ADDRESS                       	2033 MOWRY RD STE 145 GAINESVILLE FL 32610
ST:EMAIL                         	jdlicht@ufl.edu
ST:PHONE                         	(352) 273-8143
ST:SUBMIT_DATE                   	2023-09-07
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1	Genotype:High NSD2 | Treatment:Control	RAW_FILE_NAME=Cha-Kar-20220602-01.raw
SUBJECT_SAMPLE_FACTORS           	-	2	Genotype:High NSD2 | Treatment:Control	RAW_FILE_NAME=Cha-Kar-20220602-02.raw
SUBJECT_SAMPLE_FACTORS           	-	3	Genotype:High NSD2 | Treatment:Control	RAW_FILE_NAME=Cha-Kar-20220602-03.raw
SUBJECT_SAMPLE_FACTORS           	-	4	Genotype:High NSD2 | Treatment:Knockdown 1	RAW_FILE_NAME=Cha-Kar-20220602-04.raw
SUBJECT_SAMPLE_FACTORS           	-	5	Genotype:High NSD2 | Treatment:Knockdown 1	RAW_FILE_NAME=Cha-Kar-20220602-05.raw
SUBJECT_SAMPLE_FACTORS           	-	6	Genotype:High NSD2 | Treatment:Knockdown 1	RAW_FILE_NAME=Cha-Kar-20220602-06.raw
SUBJECT_SAMPLE_FACTORS           	-	7	Genotype:High NSD2 | Treatment:Knockdown 2	RAW_FILE_NAME=Cha-Kar-20220602-07.raw
SUBJECT_SAMPLE_FACTORS           	-	8	Genotype:High NSD2 | Treatment:Knockdown 2	RAW_FILE_NAME=Cha-Kar-20220602-08.raw
SUBJECT_SAMPLE_FACTORS           	-	9	Genotype:High NSD2 | Treatment:Knockdown 2	RAW_FILE_NAME=Cha-Kar-20220602-09.raw
SUBJECT_SAMPLE_FACTORS           	-	10	Genotype:Low NSD2 | Treatment:Control	RAW_FILE_NAME=Cha-Kar-20220602-10.raw
SUBJECT_SAMPLE_FACTORS           	-	11	Genotype:Low NSD2 | Treatment:Control	RAW_FILE_NAME=Cha-Kar-20220602-11.raw
SUBJECT_SAMPLE_FACTORS           	-	12	Genotype:Low NSD2 | Treatment:Control	RAW_FILE_NAME=Cha-Kar-20220602-12.raw
SUBJECT_SAMPLE_FACTORS           	-	13	Genotype:Low NSD2 | Treatment:Knockdown 1	RAW_FILE_NAME=Cha-Kar-20220602-13.raw
SUBJECT_SAMPLE_FACTORS           	-	14	Genotype:Low NSD2 | Treatment:Knockdown 1	RAW_FILE_NAME=Cha-Kar-20220602-14.raw
SUBJECT_SAMPLE_FACTORS           	-	15	Genotype:Low NSD2 | Treatment:Knockdown 1	RAW_FILE_NAME=Cha-Kar-20220602-15.raw
SUBJECT_SAMPLE_FACTORS           	-	16	Genotype:Low NSD2 | Treatment:Knockdown 2	RAW_FILE_NAME=Cha-Kar-20220602-16.raw
SUBJECT_SAMPLE_FACTORS           	-	17	Genotype:Low NSD2 | Treatment:Knockdown 2	RAW_FILE_NAME=Cha-Kar-20220602-17.raw
SUBJECT_SAMPLE_FACTORS           	-	18	Genotype:Low NSD2 | Treatment:Knockdown 2	RAW_FILE_NAME=Cha-Kar-20220602-18.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Multiple myeloma cells were collected, spun down, and flash frozen.
CO:SAMPLE_TYPE                   	B cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Stable NSD2 knockdown cell lines and control cell lines were established using
TR:TREATMENT_SUMMARY             	shRNA.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Soluble metabolites were extracted directly from snap-frozen cell pellets using
SP:SAMPLEPREP_SUMMARY            	cold acetonitrile/water (80/20, vol/vol) at a dilution of 10,000 cells/ul
SP:SAMPLEPREP_SUMMARY            	solvent. Samples were vortexed and incubated at -80C overnight to precipitate
SP:SAMPLEPREP_SUMMARY            	proteins and subsequently thawed, vortexed, and centrifuged at 18,000 x g for 30
SP:SAMPLEPREP_SUMMARY            	min at 4C to pellet debris. The supernatants were transferred to new vials and
SP:SAMPLEPREP_SUMMARY            	analyzed by high-performance liquid chromatography (HPLC) and high-resolution
SP:SAMPLEPREP_SUMMARY            	mass spectrometry and tandem mass spectrometry (MS/MS).
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Waters XBridge BEH Amide (100 x 4.6mm,3.5um)
CH:COLUMN_TEMPERATURE            	275
CH:FLOW_GRADIENT                 	0 min, 15% A; 2.5 min, 30% A; 7 min, 43% A; 16 min, 62% A; 16.1-18 min, 75% A;
CH:FLOW_GRADIENT                 	18-25 min, 15% A
CH:FLOW_RATE                     	150 μL/min
CH:SOLVENT_A                     	95% water/5% acetonitrile; 10 mM ammonium hydroxide; 10 mM ammonium acetate, pH
CH:SOLVENT_A                     	9.0
CH:SOLVENT_B                     	100% acetonitrile
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	The capillary of the ESI source was set to 275 °C, with sheath gas at 35
MS:MS_COMMENTS                   	arbitrary units, auxiliary gas at 5 arbitrary units and the spray voltage at 4.0
MS:MS_COMMENTS                   	kV. In positive/negative polarity switching mode, an m/z scan range from 60 to
MS:MS_COMMENTS                   	900 was chosen and MS1 data was collected at a resolution of 70,000.
MS:ION_MODE                      	UNSPECIFIED
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak area
MS_METABOLITE_DATA_START
Samples	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18
Factors	Genotype:High NSD2 | Treatment:Control	Genotype:High NSD2 | Treatment:Control	Genotype:High NSD2 | Treatment:Control	Genotype:High NSD2 | Treatment:Knockdown 1	Genotype:High NSD2 | Treatment:Knockdown 1	Genotype:High NSD2 | Treatment:Knockdown 1	Genotype:High NSD2 | Treatment:Knockdown 2	Genotype:High NSD2 | Treatment:Knockdown 2	Genotype:High NSD2 | Treatment:Knockdown 2	Genotype:Low NSD2 | Treatment:Control	Genotype:Low NSD2 | Treatment:Control	Genotype:Low NSD2 | Treatment:Control	Genotype:Low NSD2 | Treatment:Knockdown 1	Genotype:Low NSD2 | Treatment:Knockdown 1	Genotype:Low NSD2 | Treatment:Knockdown 1	Genotype:Low NSD2 | Treatment:Knockdown 2	Genotype:Low NSD2 | Treatment:Knockdown 2	Genotype:Low NSD2 | Treatment:Knockdown 2	
1-phenylethylamine	321816.2948	278175.6675	213358.6838		171716.5970	2029154.0710	143682.1473	198871.9858	186130.6278	2042443.4380	669600.0839	419672.3354	196877.5635	525398.5903	122769.5166		177513.8036	
2- / 3-phosphoglycerate	36155.9745	25110.4345	16783.9216	25438.2903	17177.2963	6322.0526	11772.9903	20457.9518	7283.7813	13010.0019	11592.5634	9641.1865	5859.8136	6760.8318	13710.9898	5386.7835	14447.9902	24307.3102
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	635512.8361	686256.0270	838787.5552	559666.2263	751597.7196	826801.1215	657981.5475	845259.8410	777725.8681	505320.5717	451907.2300	515941.2237	751286.6120	599537.1379	607962.1005	946156.2913	874226.8121	868732.9585
2-HG	6439539.1310	5871434.0770	7032602.3800	10006276.7500	7386081.9300	10583587.2700	8841080.6280	9649682.9360	9975341.7750	16775984.5800	18002980.8600	16201987.2600	16053534.4500	17120075.5500	17640066.4100	12119293.6300	14085374.9200	11790365.5300
2-hydroxybutanoic acid	1684963.6900	491734.4129	726858.5314	384729.2395	335345.9452	363645.4561	232450.6339	360856.9868	292713.6352	277447.7047	357917.7840	587551.1632	551937.6098	488296.9261	318215.5393	617404.2083	309088.8680	475675.3196
2-keto-isovaleric acid	2282110.8510	2120047.8440	1768360.5100	1650232.8600	1500573.9020	1119695.2260	1161965.6140	879286.1473	891442.0828	1363347.3700	1248273.5380	1440049.1310	1040698.5140	1077313.4770	1323166.8110	475541.5767	819371.2349	769338.7934
3- / 7-methylguanine	506875.7596	427034.7866	395967.9928	272353.5644	297243.0846	232669.6487	280639.3259	338869.7097	298442.9031	279082.5487	349408.4640	342632.7323	327606.6366	335992.9443	271793.9312	281276.7695	279804.7456	300996.8780
3-hydroxypropanoic acid	9225449.2480	15344867.4000	20397855.4000	26095988.7400	29557109.9100	37276289.6500	32805221.4100	31579142.1800	29684536.8800	49786351.2300	30996354.9500	54008886.1700	25579931.6300	39079668.9000	28366822.6300	41455126.0800	32175135.2500	22131544.7800
3-phosphohydroxypyruvic acid	71363.9980	77370.4731	49527.8331	49490.7605	34840.6130	31220.9268	7525.1204	10467.4317		47410.4016	55607.2150	50138.2816	38078.7587	40808.1787	57586.4822		11924.8776	
3-ureidopropionic acid	100612.5649	34195.3359	66389.7992	64608.8535	40571.4794	35663.1863	34817.1235	97343.5449	46217.9231	65561.8608	19150.8236	9007.9014	55940.8627	26339.7721	76303.3537	40567.0856	11766.0399	33824.6306
4-hydroxybutanoic acid	2810112.5850	909437.2408	1135500.2570	754237.0162	818541.8062	911669.6539	875789.1242	785432.9516	804052.9651	850702.8513	870292.6988	910553.5201	916376.2056	967653.5853	904708.2200	890705.6911	899097.2432	813894.5860
4-hydroxyproline / 5-aminolevulinate	74498915.8000	52595152.9900	45881410.6900	55798018.5500	44833812.2500	70054208.7400	57507908.6000	62457476.8600	47857893.8100	41042075.0100	38317019.6500	46832514.8500	49947000.5600	53561747.3500	57326038.8600	54720393.2800	51194367.5400	58036513.3500
5-aminopentanoic acid	777285.0560	1770578.7620	1949310.8690	1450185.9910	1312963.3440	1868973.4280	1420031.8400	1120406.4670	1073575.4100	1420670.4620	1314672.8330	1070605.6110	2039830.5130	2360113.9510	2037799.5220	785721.6498	949568.9940	901406.2046
5-methylcytosine	403707.8270	503246.0298	415438.8883	495405.9197	477408.9715	458477.4482	653882.1490	674870.0532	495119.3590	484676.1771	458584.4073	568768.2890	602213.1191	429685.8696	570184.0024	773410.3807	540427.3442	886102.7151
5^-methylthioadenosine	4173327.9190	4035770.3720	4372105.4740	4756150.1860	4747718.0230	4771362.9500	4400966.0400	4203624.1890	4211934.4560	5820014.5110	5526199.9240	5041854.8120	6631837.8560	6055137.8370	6451285.3430	4085988.6690	4319313.9790	3802365.3880
6-aminohexanoate	14061018.5900	14673179.4700	16976751.1100	11879621.4500	14124028.0100	18446669.4500	19405792.2100	23115052.7500	9037055.3950	11418407.0600	6913191.0960	11222292.8400	15364731.3900	16213580.1500	16371240.8500	8648000.7260		5421485.0270
6-phosphogluconic acid	40762.3123			18107.3848	43880.5570		41666.9007		29688.9610	77777.8590	33549.1516	22153.9532				18386.4829		
acetoin	1274607.4620	1106761.7980	927951.6247	1219614.2020	1063535.1340	1040143.9400	903900.4776	1018959.2220	935996.5843	3588588.9000	3383368.9440	3105155.9490	3954490.8680	3779809.2870	4087192.4930	2497716.6100	2425907.6230	2325676.6000
acetylcarnitine+	147293580.4000	138673627.1000	144329742.4000	133709166.8000	118436308.3000	120621053.8000	67773059.2700	74373658.6200	63880761.1100	38016334.2100	36643176.2100	35971227.5500	37252052.8300	42739609.2600	39042412.1500	30574032.1300	36654245.1300	29590933.8700
acetylcholine+	854041.6156	711310.7515	707446.5105	885688.7346	720123.8216	712771.3636	814563.2224	830110.4576	832849.9212	682038.3715	441977.0027	569145.8520	640340.7563	617374.2162	617526.5725	638132.2162	646770.8526	663236.2499
aconitic acid	299502.6133	301766.6402	369744.6705	1092433.3330	686999.7458	1297985.2910	1648635.9580	1933236.1250	2397892.4260	2033003.1120	2612668.9850	2054702.6790	2215912.6550	3794814.9860	3896501.8880	2524271.5830	4523189.5750	3478562.9260
adenine	2174327.2730	1388307.1380	1878520.2540	1370251.8460	1389825.3020	1978872.0230	2047920.3550	1210452.1640	1357512.3090	3359264.6950	2620077.7520	3282510.1430	3901167.1640	3740523.3360	3682865.9490	1413210.8630	1760552.0590	2155117.6180
adenosine	1431921.4580	1437173.6110	946104.2369	810312.0684	831344.2474	655141.3789	742646.0332	413885.8484	525397.5914	2911351.4700	3168526.7220	3412307.9960	3297876.5320	2799207.4780	3490674.5970	2635995.2730	3135118.5150	3134723.6180
adenylosuccinate	9148.2989		22116.9998	22746.0499						696622.9259	807711.8878	664621.9265	571731.4050	296803.9388	575217.5108	451341.1687	542366.2689	331928.8062
ADP / dGDP	15402423.0900	20112438.3600	21414961.1700	24686084.8800	22464394.8600	26458476.9900	24676345.0900	24781310.9100	21582632.6800	35678795.9500	35960598.4600	29324248.0500	35050407.5000	33949041.4700	39040536.9500	30690223.6700	36734521.8100	30236898.9300
a-KG	15770661.0300	13679913.3900	12509893.8200	10807809.1400	9687056.4640	9070103.0370	4808845.6900	4204579.3320	3744661.4470	11701713.6300	10530397.5100	10079117.5100	9815903.8730	9163417.5900	9765354.0840	1976158.6370	1925514.4450	1750466.6530
alanine	170991522.6000	165328459.4000	170558200.9000	175107093.1000	162228093.6000	178247541.4000	115187037.7000	123753820.3000	106371275.4000	115487199.8000	110055523.6000	106021845.5000	140964387.6000	138924638.0000	129472453.6000	97159638.4000	104830488.9000	93303372.4500
allantoin	2388637.3790	2165798.0130	2340035.5950	1807129.5300	1930267.2530	2050638.8590	1691662.9980	1895726.7200	1614479.8140	1790992.7820	1496682.1480	1562591.7740	1938500.9970	1942494.2180	1861982.3900	1376654.7860	1616261.0270	1484180.2420
AMP / dGMP	20862314.5500	20144987.8300	19277920.4200	19533400.5900	14064182.4200	14656040.5500	13213258.9300	11907383.6600	10139451.7800	98979329.9700	90920281.8800	103642214.9000	90434907.1200	71710016.2900	95107873.9400	76845694.1900	90810775.6700	86146142.0200
anserine	10519.2068		14511.4674	6767.6669	8536.6531				15859.2433		7899.7312			10930.7610	8073.8490	8074.3065	15998.9082	
arginine	64987619.2900	62856464.2900	62159639.6800	71899861.8900	72361777.4200	80991944.1400	68567474.4300	70308207.5500	61751730.5500	71625954.8000	73413711.5500	64804982.0500	82127113.9300	87077292.5500	82866659.7800	81607278.9500	80064948.2800	68914553.2000
asparagine	44024859.7300	39913430.6800	43835264.7700	48061205.1900	44385562.1200	47797036.0100	34591597.4600	37006058.7100	34107928.4900	31981911.1700	30968528.3400	27855305.0700	37728448.1500	40050638.0500	40517475.6200	33066923.5200	39336878.5600	33887010.2800
aspartic acid	40478122.8400	37351630.2200	37214723.8400	46533067.6400	35884558.9100	37811789.3100	74575334.4300	74176539.2500	66639222.6400	36205070.7700	33796935.1100	33523409.0200	38150448.0900	34499399.6700	41208707.1800	48906573.7400	69631799.2900	51667427.0100
ATP / dGTP	9728663.3500	19426049.1900	21112797.9800	30791453.9400	27612721.2700	36801545.3500	38845480.5000	45262509.3100	38064983.1500	10948792.8700	11287723.4500	8099647.4320	10077140.1600	10667621.4500	10616360.3000	8857766.5440	12278346.8000	9010855.7850
b-alanine	45031035.6200	43120438.1600	47451928.8100	44024717.4200	40970291.0700	45822355.0600	49176170.2000	50777250.1800	48284021.2500	49902255.9500	46331612.8700	50104727.9100	56136098.9400	58045672.3100	54621393.4400	47512369.7800	55695448.9700	46906598.5600
betaine+	196260888.2000	174742144.6000	181714880.5000	161009853.0000	146272573.8000	159152390.3000	155150508.6000	153117841.5000	134528744.7000	150753972.9000	137162859.9000	141152143.3000	169226625.1000	171772697.2000	165676508.9000	141605151.0000	159176307.2000	143252166.4000
bilirubin	179910.9907	146715.2217	164776.7939	45483.9950	42136.9059	51940.1026	92309.6913	60844.5177	84423.4468	27739.6589	100687.0188	61501.6006	73683.5431	45959.2773	73048.7829			365568.8250
biotin	240021.5795	216693.7032	171488.5969	246309.0093	188815.7996	280644.2700	178179.0847	102868.3493	177900.7548	279957.6353	310264.0933	240354.9407	317903.4002	283876.4270	367884.9196	204122.3999	213072.8151	235515.9487
butyric acid / (iso)	383275.1748	370896.7677	630952.6045	507986.3530	618064.0350	484835.5462	464049.7605	545083.1304	424524.5940	532741.6171	452238.6426	715559.7785	514630.0935	490178.4175	437158.8928	458423.5020	608227.8930	289090.4420
"cAMP(2^_3^) / cAMP(3^_5^)"	8657.3930		13278.3810		9878.5742		13753.4584	12290.7508	26541.4686	13672.1231	23200.3985	11814.4355	18225.2571	14676.3675	22156.4673	28519.9211	15381.3645	9234.3088
carnitine+	453350597.1000	433924770.1000	438802044.4000	453427772.9000	450430462.6000	483378056.3000	480735421.9000	521056749.7000	461835529.9000	263648022.8000	253464577.4000	261914057.6000	292987201.5000	275579104.0000	291077243.9000	304844716.2000	317151444.0000	303138045.6000
carnosine	130400.7419	101851.6281	118626.4373	106203.3022	100465.3728	157081.9549	21487.5478	30928.9827	76962.3868	97817.5469	12912.8774	40154.9410	24344.5909	66144.0040	54580.5686	67265.2821	90671.2034	27227.7762
CDP	743547.4733	667759.7208	808657.2819	1213757.1470	1147479.2150	1321075.7010	1218474.9490	1264065.0510	999336.8536	1758866.8470	2170212.3950	1464455.5770	1880959.6870	1861361.4690	2040235.7990	1634997.6250	2086033.4630	1620270.4610
CDP-choline+	4879153.4970	4467217.5080	4296264.7410	5966518.3930	4517458.0210	5625863.7750	4458686.7060	4970790.1030	4166901.2630	5865131.3750	5957469.1210	5906446.3450	6015837.6410	5171584.8980	5713343.9200	4166289.6830	5070566.8360	3840525.5510
choline+	218506222.3000	202134406.8000	213946996.0000	233981231.2000	223103841.0000	235955909.7000	621555421.3000	645332061.3000	564810314.7000	427455264.6000	396423496.5000	424627210.8000	434495528.3000	465016066.3000	464285784.4000	774977591.5000	900905127.8000	807895755.7000
citraconic acid	20270010.6600	7732268.5580	7750439.7730	10782735.8600	11804573.6500	13336062.6000	11969780.2100	10074275.5900	13441075.1400	20720148.9400	25427429.7600	19616170.4800	8067086.8220	11471816.6700	11875985.1200	12753609.8500	5981593.0940	5312541.4090
citramalic acid	499945.8486	422787.9768	371067.9982	684724.0638	781365.5506	1637936.2560	521712.5461	784250.2080	575103.6558	652255.2448	666906.1415	1313812.6690	893451.5050	769933.4717	709273.9711	451364.5629	742898.7139	956453.7769
citrate / citrate(iso)	6559417.5570	7182085.2840	7077111.5420	7960512.5040	7672944.6820	9877168.5680	8169314.3830	10076921.0500	8829387.1250	8765854.2940	9670702.0450	7359274.3310	9225501.5990	10412377.6300	11867967.5200	7588757.0980	9469805.1220	8923847.9070
citrulline	1614483.9640	1323164.7850	1457808.5050	1701166.1480	1365250.4440	1470164.3350	1159305.9490	1253719.8290	1223469.8860	1307692.7410	1257656.8770	1670493.6130	1474639.1730	1354073.4100	1571750.5330	1314560.3170	1514564.7400	1361798.2220
CMP	1893538.0680	1865120.1580	1867499.2590	1968438.5620	1587717.6910	1761766.1060	1649801.6090	1599772.1170	1261568.4450	11189523.8800	11075794.0400	11607798.4800	11222560.0400	9280250.0990	12856899.1500	9613598.4910	10948221.4400	10012975.2200
coenzyme A	56743.9578	27592.7060	27434.0238	84103.7670	65415.5600	7488.2133	11012.9701	25822.0508	41651.5399	91053.2294	26784.7454	38272.7984	13048.2254	20287.2736	22758.3609	21488.6427	20607.3264	
creatine	874291013.7000	941260360.8000	978882668.7000	924081459.7000	858330629.6000	902464236.8000	696044643.4000	743426210.5000	662276147.3000	680473960.2000	607764667.9000	609683147.6000	707448443.3000	744783386.4000	713965134.5000	512110732.7000	609266203.8000	517523931.1000
creatinine	21214653.4200	17814045.0600	18014387.5200	14135903.5000	15010207.1700	13735526.0300	13658394.4500	13502274.3400	10800980.2500	13176724.2000	13119273.8500	11894794.4900	14945334.6700	15371651.5800	14360870.6200	11443773.3900	12140140.3500	9942363.7740
CTP	197116.1554	492045.4662	1122519.0450	885822.5101	932793.4573	1335497.3580	1545206.0090	1856773.4040	1437648.5840	480871.9736	510378.6927	401822.6223	257206.8742	486548.2922	381513.8748	349003.1112	256375.3728	276904.3398
cystathionine	1451810.6610	1226112.2140	1266911.6600	1812714.2480	1509220.7760	1582831.8710	1024387.6200	1004569.2680	909108.5556	902603.1840	1094828.9240	1101511.1160	1089003.1660	1044144.1630	980723.2757	1709239.2160	1888542.6770	1688626.0190
cysteine	15892459.1400	15264141.3600	15786018.8000	15074300.3100	14870480.8600	13407824.7800	14833905.0200	13857968.1000	12010561.9900	17767577.8000	19583494.5000	19422401.0300	21175613.9100	18839773.1700	24144476.7100	14523144.0400	16666395.4400	15373778.7500
cystine	6091143.4580	4250796.9670	4623644.5670	4794345.0300	4907723.5960	3888551.1830	5714705.4930	4045322.3520	5365214.8980	5421903.6200	4980391.9050	6116396.7520	4840619.3350	5641821.2860	7102388.6430	5313747.9160	4549758.0760	4857772.5170
cytidine	254255.2302	170770.2799	174222.3204	54492.4902	41731.6357	27053.9636	17130.8751	10433.6396	49154.3572	595682.0414	671799.5835	700111.2605	626654.8327	511507.5563	659431.1107	503159.8874	555035.5712	632738.6833
cytosine	2756738.2360	2542723.9860	2506282.5770	2055459.5430	2221068.6960	2338755.4590	1462149.5650	1498005.2540	1358932.6730	1492451.4270	1513827.1510	1333867.5460	1637077.6820	1724474.9900	1477679.0680	1213274.3980	1234846.2780	1181770.4300
dCMP	180010.2683	120778.3442	179086.2176	200831.2180	156057.9025	166742.8810	137527.7271	178509.0235	119357.7483	150248.4340	156613.6588	159403.1256	148598.8076	123321.9040	119143.4245	101556.5753	147208.7233	99892.9189
dehydroascorbic acid	279556.1652	150958.4562	92330.5268	144801.4806	111446.8477	144406.2590	19422.3825			180843.8086	98204.6096	107330.7600	124362.8815	115876.5531	158096.1447	20648.6236	82585.8442	
deoxyadenosine	280524.1463	230523.0906	178783.1360	218603.7724	119976.8358	117412.3826	100132.9802	76873.0262	68676.8531	20281.3435	38012.7184	10100.6698	8895.6647	8596.6072	31810.2880			
deoxycarnitine+	40499738.3800	42401385.7600	40569149.4600	50843765.8000	41680241.5200	45326697.7500	57835439.2800	55129013.9000	50477056.6400	43026948.2800	36449271.8800	43180240.1800	39471921.4500	37947427.5300	40051771.7300	53498745.0400	61026599.0700	52718123.6700
deoxycytidine	2685235.5610	2645790.8160	2674398.5390	2145247.8710	2242946.2330	2226115.7800	1449371.7400	1252370.4540	1113591.6100	1275582.0300	1293075.4580	1256051.2950	1347161.1100	1573250.5510	1363181.0400	991380.5393	1063122.3880	1043983.7430
deoxyguanosine	160968.0297	195169.3026	229490.2423	176050.5472	212061.8614	523753.5016	216132.4772	36216.3930	176572.8038	118307.7464	259571.1312	198920.8884		202933.4475	235796.9017	600166.9359	232605.4860	177549.2998
deoxyinosine	43360.0258	40684.4906	40356.1258	10492.8843	31598.0417	9964.2841			10480.6863		19226.2819	14108.5058	49394.5137	37964.2782	32693.5460	18044.3474	34931.5280	16237.1992
D-galactonic acid / D-gluconic acid	36497593.3300	31448475.9000	33184332.2700	33856103.0600	30668547.0400	33658487.5400	27142079.9900	28527967.6200	25099713.0500	58090930.8600	52653265.9500	52206113.1300	63286940.3900	60177229.9900	66204086.0900	48559098.5200	52872024.0600	46510877.3300
D-galactosamine/glucosamine-1/6-phosphate	93266.2207	118466.8803	116675.6698	121233.7371	48703.6173	57303.6904	120954.5932	126422.6872	83339.8638	65157.2706	63163.2477	73857.9597	40176.6279		14178.6971	22465.8304		26125.4121
D-glucuronolactone / D-galacturonolactone	986851.7592	804930.3564	726342.3937	730891.6832	651884.9530	745909.2785	573953.7908	660370.4698	471491.6636	668276.6328	673860.7570	672859.0140	634304.1433	659395.2598	637585.9139	435146.9807	464753.5912	430790.8891
dihydroorotate	716369.8990	982020.4670	1239146.1360	293875.9195	296697.9405	502527.4870	115359.6871	219953.1607	225400.0526	796058.8926	656852.3283	658328.9784	711928.2535	729665.8931	668751.9373	123579.1733	161399.8233	127472.7518
dimethylglycine	8302609.9570	7249910.0790	8100015.9740	8964281.6360	7458259.4510	8658984.5290	7539409.8700	8056349.5670	6761880.1790	7550908.8580	6676718.2670	6985264.5100	7961380.6050	7221275.7280	7739878.5850	6073542.1520	5636270.4550	5746264.8520
D-ribose-1/5-phosphate / D-ribulose 5-phosphate	81308.4702	29688.5351	48211.0611	72823.8606	26803.2547	63679.6586	79260.2990	65297.5667	40887.8853	18146.0663	11935.1353	44570.3396	15396.3849		31024.1950	7050.0469	25336.1189	8102.5910
D-sedoheptulose	12736.0954	7704.9791		21075.0518	8856.0579		18392.3453	25986.0401	7566.0435						9440.2135		19707.5833	
D-sedoheptulose-7-phosphate	61357.1110	49256.6439	63839.7508	91925.4276	81474.7972	106228.8557	56879.8996	66916.6795	61944.1369	27106.0265	37645.5073	42261.1568	37816.5546	27678.8327	40927.6970	12691.2639	16639.2476	15849.1891
dTMP	413002.9034	417745.5761	332525.8981	552761.9462	363653.1811	391896.1628	230404.3619	291295.8065	262329.7942	621594.9550	792555.4815	700896.2941	628276.2808	721742.4077	801038.2645	473466.0649	458508.9076	386839.6854
epinephrine / normetanephrine	443077.6553	352292.9850	451181.8830	424815.1380	438907.0837	226793.0840	283931.1987	403516.9897	446367.4686	354191.9124	271556.2120	417176.7686	381402.9691	447953.3187	398754.6950	498164.0846	435720.0391	488829.4686
"F-1_6/2_6-DP"	151665.1019	101032.5991	54600.0122	73818.3024	29083.9169	50033.8466	45250.5968	63804.9176	64797.0915	12892.5623	14014.7756	13391.1934	6034.9979	14425.2526	8043.1112	8115.9475	17319.9420	
F1P	68431.1329	51582.4141			97502.5814	84970.4629	75130.0343	106846.4804	77931.1153	93113.4790	95793.7187	115594.1720	111558.7797	81520.7786	108679.7571	87052.8444	142114.9327	90078.2071
F6P / G1P / G6P	218749.5679	144996.1204	149811.8627	280348.3645	233165.1919	242381.7344	336621.2861	395747.4320	329960.8593	184445.8470	208339.8403	191902.5574	235901.1413	172092.4988	217169.0745	252637.0658	277248.4670	147569.2717
FAD	14433.7428	54785.9174	69486.4373	64156.1721	15302.3976	66074.7057	90204.4100	20830.8609	80245.9236		79302.8638	35946.9251	85618.2319	150360.9472	72359.1359	55176.3374	66155.8563	55197.4547
fructose / mannose	252253.2336	170343.3946	218753.8369	242891.7536	409728.9757	469468.1212	362453.5170	379522.9423	306571.7309	304195.3656	185012.4462	280423.9421	445387.3447	541167.6066	297727.1960	487952.7327	683270.2616	593938.0803
fumaric acid	23777572.5100	22091813.7100	22767524.0700	16607871.4400	14554203.0000	16049763.7700	15020327.8300	15831336.4700	14392126.2800	18119431.6100	17883576.2800	17128507.2900	15775511.5400	15363588.4200	15496855.5600	9231947.2870	10118180.8700	9524276.7280
GABA	8620585.4070	9891389.1730	10568207.0800	24674239.3700	21663211.0400	23800254.8100	18594790.8800	19405165.5000	17874797.1700	11180775.0300	10519541.4600	11163270.5200	17530192.2800	20313304.9400	17779610.8900	15026712.6500	19460644.7500	16088927.0300
galactosamine / glucosamine / mannosamine	670015.6496	777252.9839	701130.2943	673594.8557	463496.8228	562491.2622	472895.6335	487599.7671	515960.9394	553861.9959	527988.7280	447285.1290	514782.4561	527519.1968	565410.3034	562683.3758	666895.2022	596872.7081
galactose / glucose	5865299.8710	446059.1546	393021.0990	900977.7714	914711.5715	1205111.0140	1059058.7340	1322022.2320	1155750.5960	1134432.6920	986443.1736	943256.2595	1028932.9700	1445610.2080	821788.8384	1368712.1940	1099035.4060	1058806.0790
GalNAC / GlcNAC	412800.5734	301769.5644	368784.9113	189778.6381	239535.2458	403389.9129	301599.8822	395529.1881	458275.8414	262196.0900	256340.5672	300264.6507	339882.7273	277410.6275	350840.5178	308696.1907	165762.0545	230522.9560
GAP / DHAP	39833.1260	27049.7448	92449.0434	63426.1796	74436.0310	99753.5442	73419.6054	73127.7746	76221.0678	59002.8031	90075.8336	61143.7832	50979.3386	33709.7008	52628.1453	23186.6802	24234.9877	61016.4540
GDP	499529.1061	982363.1763	1037965.4150	1176914.1650	1237592.0790	1225074.7940	1359604.8500	1650775.9690	1343872.3410	1761567.4060	1993266.0890	1513655.6770	1794848.4450	1897283.6910	2062020.3660	2033437.0950	2401158.4200	1817096.4290
GDP-L-fucose	125288.7551	109573.3374	105919.6839	174426.3668	129652.1985	149639.6292	155686.0013	188895.5020	121278.4150	183736.5539	173298.8758	221102.3525	159439.0371	140751.9954	185580.0657	175470.9666	197111.0290	147065.6357
glutamate	538539012.6000	498925425.0000	527806929.9000	571526094.7000	489726162.9000	566574714.2000	468131370.5000	512361047.9000	447763869.0000	474555187.8000	439599126.0000	443181939.7000	512315262.4000	474521833.4000	496533241.5000	389951394.3000	402267680.8000	385127779.8000
glutamine	141036601.5000	129926753.0000	131618532.7000	168032626.9000	146167351.1000	157168588.9000	125102232.7000	125463911.5000	113578723.2000	41910552.4200	40993998.5000	39470469.1700	55092557.6100	55668714.9100	56066752.8600	99249630.1800	109034841.4000	91671903.6900
glutathione	24747424.6800	23049557.8600	24087395.6400	18577900.9500	15436740.3700	20185399.8700	17110215.7000	19655358.3800	18195346.9000	53002578.1300	43363557.1200	36547761.9200	51788068.9200	54689973.9100	36739791.2600	25387992.3700	28694803.0700	18801868.9000
glutathione disulfide	280822.9384	290481.9547	138980.4775	207052.8789	104373.8564	88080.2881	92385.9326	59782.3165	115656.5204	159269.3323	103942.2188	55061.3442	185894.4178	234976.0076	155981.0183	61566.3140	84573.7163	59661.4366
glyceric acid	5976942.4080	1562558.7700	1444777.7810	1043492.6700	1212824.4570	1596682.6940	1123387.9370	1004097.5850	1197650.1900	2588924.7200	2679221.6880	2648878.6850	2706797.9360	2789014.1870	2557130.8040	1835491.9220	2538982.6840	2125930.1770
glycerol 2/3-phosphate	1774875.5760	1492958.1710	1527465.9640	1339353.3040	1085791.0370	1223136.3920	5550837.7370	5868026.7880	5347009.5650	959733.6709	820558.0713	876747.1910	933227.5982	841248.3094	858803.0281	1063947.5390	1277330.7030	1242871.7350
glycine	39354901.6000	35228181.3500	38371942.8800	41729447.9300	38869502.8200	40249261.4300	38451747.4500	37175369.8000	33095063.8300	34390339.2900	32085501.6500	35180871.6500	38192324.1400	35093045.6200	39993346.1700	34016195.3900	37506866.9000	33692313.4100
GMP	1402200.7350	1505535.1930	1589094.7310	1495840.6090	1174167.5780	1309330.1120	1278423.0590	1124603.5150	976077.2339	9142283.9070	9411591.0050	9783225.5640	8735659.8780	8145376.4050	10537460.6800	8203032.0180	9725827.8260	8981489.0700
GTP	135786.6423	869813.7975	1124446.1990	1642991.6460	1626446.8350	2122383.0210	2426027.7510	2894995.3430	2503234.0290	823783.8298	771224.4345	496016.3136	591739.3115	747309.2801	789034.8058	532345.7742	1015183.3660	756301.5334
guanidine	10425531.1800	4448613.9500	3416458.2350	4874008.4740	3697102.5390	4090885.8420	4615041.1020	4065247.2330	4393229.7160	4240132.4630	3986703.0360	4043147.7670	4197935.1280	4049513.5530	3633006.0120	4131213.0250	5163077.6250	4551910.7960
guanidinoacetate	985053.2512	667978.7358	673759.2516	449633.4454	430503.4587	450937.1865	648529.5999	593568.1491	592301.2680	33692.9137	73870.5017	80342.9793	54674.3832	66063.8558	47580.8344	50652.6734	56090.0209	53026.9875
guanine	1182647.3370	570294.8899	480401.4935	323799.6063	219273.8766	101790.0593	222672.2180	18477.4528	22637.2007	1892036.7330	1853708.0310	1992435.8150	2334831.8550	2273486.9930	2189315.3110	1929645.9160	2122400.7640	2098157.4510
guanosine	50071.0626	52699.8710	17184.9958		38738.4934	11163.5789	23552.6221	11950.7132		87956.3891	71753.9258	78715.3722	45935.0867	44104.4541	31389.1510	33068.8220	39116.1295	33489.3094
histidine	79195720.9400	81642534.2500	86061690.0600	85003593.5400	78089738.5500	85873550.5900	70706670.6000	76605725.5600	63546167.3200	68629297.6600	66898473.3300	64231594.2900	80610675.9300	77051715.4000	84184151.1100	66811319.9400	76467036.9700	66489093.8700
homocysteine	259448.1574	283485.2220	291834.2350	166518.0042	189521.8426	276768.9405	177652.9040	120312.1589	107234.1978	133927.7179	88426.1704	131629.2278	113790.2991	175387.1530	88354.6760	40815.5685	14689.5473	30441.6363
homoserine / threonine / allothreonine	27742247.1500	25795627.7300	27996123.8200	33394206.4600	30148877.0200	32931187.8900	27399354.6400	28702312.1400	24677718.3200	20651942.0200	18230066.9600	19551711.6200	23265521.6000	22232613.0500	22243779.0500	20344960.6500	21609353.9400	19305314.2700
hydroxyphenyllactic acid / HVA	1240702.6450	1087298.4300	1119744.6130	1186670.9670	1052435.0330	1168854.6180	736928.5770	744577.7688	613261.6862	898417.2912	846577.7197	808008.7197	978237.6503	995876.8044	1107974.2190	701049.3094	749043.5654	721620.4528
hydroxypyruvic acid	336633.1251	278785.3250	267746.4383	245586.3387	221686.4468	75288.1978	227299.3176	293066.6449	200773.8512	237115.4468	123197.5544	436045.7607	321947.8339	301273.5365	254185.9457	279842.3392	241440.6323	328952.8588
hypoxanthine	8826159.5130	6905087.4650	6629993.2910	3289182.5800	2841220.3900	1315538.5360	2557247.8970	708092.8936	714744.8532	30662988.3400	28235646.5000	28999641.6300	33204379.0800	34028358.7100	31771788.3200	15536585.1700	17953443.1400	15627727.7600
imidazole-4-acetate	830628.1010	747272.8289	838234.2250	661617.1203	784899.7750	871282.1633	862028.1192	752145.0686	802811.1798	827961.2352	706995.7213	807645.3833	737025.4374	781322.4228	650211.0050	968891.0512	961488.7766	942917.3171
IMP	2594095.5220	2306208.1190	2822382.5230	1943161.4410	1713369.2440	2142021.1200	1278827.4950	1781429.7950	1622934.3920	7804981.5050	8018117.0770	7246985.5110	5968042.2910	6337596.3330	6608188.9380	1801705.9950	2282730.0580	1822386.9230
inosine	171198.0182	176310.9819	111404.3343	35600.4493	54001.3347	36277.4969	9002.2573	28683.7810	41531.3219	506422.4380	485352.8099	376016.0189	485077.3298	439790.6158	443330.6759	291289.6643	408556.3242	252844.0171
kynurenine	290170.2352	207505.7017	286204.5063	211017.1140	208324.5121	257694.6426	114652.1920	199176.2954	178801.6725	182246.9156	191956.2681	167282.5822	235051.5983	202015.5948	258580.8043	173753.8755	201971.6330	138745.5047
lactic acid	1178182962.0000	1078435303.0000	1071511829.0000	594991663.8000	559985593.3000	596947755.8000	627374432.3000	649235887.9000	566893870.9000	833508074.6000	855526708.3000	1479036815.0000	699569289.6000	724229684.3000	708284893.4000	567107328.5000	591893012.9000	519208962.5000
L-arginino-succinate	799979.2856	637551.6611	750540.0933	728369.2581	582123.2560	755949.6860	596721.1989	517082.7763	532444.2652	835538.0814	778411.6965	811782.2146	770893.9847	705548.4408	977895.5688	489078.4392	569149.2149	526907.5560
L-cysteic acid	18720.3798	10308.2462	14219.8499	15982.6406		18512.9689	10854.4160	20332.8638	13582.2917	46268.5834	28542.3344	16679.6857	7120.6069	23940.6560	13065.6874	19972.7496	11607.3307	17962.9365
leucine / leucine(iso) / norleucine	439366504.5000	401229346.7000	429960956.1000	391367065.6000	367892749.6000	398491547.6000	333461347.4000	324514706.0000	298604442.4000	308917462.9000	282213205.4000	282279011.5000	349874518.8000	342329401.4000	356669204.8000	317802803.2000	335215643.1000	302617474.6000
L-NMMA	157609.4053	157478.5024	138795.6457	215352.1504	248018.3320	288456.7093	264623.5580	190028.8906	249635.9935	257444.8114	136868.1382	179401.9127	315132.2581	331101.4963	317677.3396	292967.4105	283734.0156	294514.0544
lysine	2941224.2310	2789063.9090	3210528.5940	3411728.8060	3807724.7530	3921318.2950	4822690.0770	5110864.9340	4591264.5440	3680076.0630	3535707.0740	2945042.3370	4292217.7460	4283224.2480	4163784.4190	4992871.8550	5092823.2110	4570221.3490
maleic acid	13037622.5700	1640219.3860	1806068.1300	2517224.2110	2471431.5470	3083228.6830	2376827.4450	2293017.2140	2417910.0820	3014646.4550	3013452.6870	3954323.8180	2314530.6160	2527210.8350	2412334.9950	2542896.9460	2994701.0340	2505427.3780
malic acid	30697458.9000	18514147.2000	22946908.5700	18630048.3500	8336362.7310	16271563.4000	12908728.9200	17244089.4400	20393580.4300	29509142.0200	40817887.9200	29135521.6500	24125942.9100	22661445.6900	38601911.2700	12372515.8800	18071700.8200	13255579.7700
malonic acid	15580826.7600	7645840.9070	7772445.5070	8483616.1720	8600705.2730	9268684.0270	8658797.9330	9502482.4830	8482126.6400	8912859.9770	10058626.3800	9768690.0150	9287809.1050	9910722.8880	9007890.7250	10149737.3100	10105377.3300	9640083.0570
ManNAC	162056.8599	34631.9633		56634.5190	49329.8018	78808.9188	171650.9679	175563.4117	261914.2485	250587.3988	138114.8925	209194.2962	473034.8618	363148.2519	209786.2384	213581.6434	383447.8246	293925.3969
mesaconic acid	1421514.5160	1213206.6050	1256739.9150	1700536.8950	2042523.8300	2249042.5270	2423207.9790	3050903.6960	2134209.3810	2730518.3400	4291548.3110	2646720.6000	3059300.9810	3856528.8770	5171359.6270	3746359.6480	5672108.2000	2718101.1310
methionine	34582060.1400	32807616.5500	33506818.9200	34434903.3400	31598814.2500	33682998.3600	30273646.3400	30366904.2000	26881941.8800	24082551.9500	22385989.6400	23149368.2400	27352621.9900	28905469.5700	28041071.3000	27728478.1300	29862546.9400	27698057.0500
methylmalonic acid	2462548.1340	1792700.5810	2191301.1280	3500519.1090	2104923.3350	4421729.6630	1637040.7420	2069904.4370	1914037.9490	1881965.6790	1024907.0440	996176.5431	1131596.2340	1993995.1180	2125919.3100	4710869.0220	5253933.9030	3939347.0740
N1-acetylspermine	202363.1846	490490.9204	387411.8177	372444.6404	135675.1318	300549.8816	175359.9843	316680.8155	140201.2733	244792.1678	182212.8840	172733.0780	244535.7171	348540.7828	211869.5685	329489.7779	296771.1889	327712.2281
N1/N8-acetylspermidine		118962.8443	56141.4696		139274.8046	163525.8819		478392.5501	421325.3964		671313.4494	949654.4088		812117.0742	828708.0224		1226425.9180	912721.0344
N-acetylaspartic acid	418624.3344	268906.4068	297712.3237	544939.0775	338337.6698	515472.7335	851377.6437	790683.5606	898282.6408	164125.5498	145096.4356	148548.2443	166824.1165	208639.4046	151761.4518	311404.5374	374118.0633	335106.7849
N-acetyl-b-alanine / N-acetyl-alanine	10441866.0100	10360945.8200	10114517.6700	9951243.3510	9495098.7860	9955184.8300	9495996.4840	9615755.8930	8502113.1440	9716521.6980	9301605.7010	9601093.0140	10859021.9000	10807287.6700	11084235.3900	7813509.3680	8304582.9400	7983302.6060
N-acetyl-DL-serine / O-acetyl-L-serine	24100876.6000	21551495.6600	21906904.7500	24025446.5200	21830377.3600	23553136.4600	23986821.3600	23578153.4900	21850141.1200	23565595.7700	21902658.7100	22695525.1200	27095233.7600	25667826.7300	26889377.6000	21071706.5200	25277835.0800	20565285.2800
N-acetylglucosamine 1/6-phosphate	193503.2406	135711.7007	183194.9373	306911.8567	215782.5334	271247.6179	404238.2958	398465.2838	321686.6243	225059.6454	213675.8687	286059.6607	280873.7202	222345.2517	226407.8176	233661.5831	343584.2036	232160.9786
N-acetyl-L-glutamic acid	709738.1223	592259.5998	727255.4442	887969.0737	713402.5725	858154.8615	790066.2757	745653.7883	664462.0034	779565.3564	622587.5279	629859.0715	751610.8759	761719.8125	789386.7568	739501.9753	674029.3241	666433.5417
NAD+	5087064.8800	4184808.2370	3779922.8440	4474991.5300	4557541.3660	3851742.7500	5673873.3110	5409794.8120	3873784.0530	16388484.7300	14621381.2500	15915930.6600	14083849.7900	14706842.8100	14458551.3900	10568195.4900	11312048.1500	10493247.9700
N-carbamoyl-L-aspartate	499078.8332	473678.0204	388952.2829	201506.0793	120704.7081	135639.4273	91073.4844	78945.1147	32700.1727	267644.3147	192590.7685	187470.9017	194634.6314	98722.7730	35056.7036			
N-formyl-L-methionine	614543.1267	562680.7930	407990.8050	597893.2920	608602.2274	538771.8535	544164.6959	532568.6036	537141.9499	554788.8367	453169.5805	451173.6264	568582.3014	632919.3004	588761.3971	521795.4962	588471.5764	527666.8417
nicotinamide	109106331.7000	140399269.4000	128159515.7000	111792069.6000	104876740.4000	120366759.2000	108826938.3000	113771911.1000	107300967.9000	37102114.4500	33218477.0200	31132234.2000	37507567.3200	31678172.7700	38151293.4300	39570557.3900	58849314.2600	35444268.7300
nicotinamide riboside+	231787.8725	238321.4325	231502.1940	112427.0800	174444.7251	177100.5783	242042.2327	235264.4817	202901.7818	315751.2346	323827.7216	319610.5900	278736.3189	271770.6277	195749.2260	348208.9219	394106.8432	314880.9781
N-methylaspartic acid	1235461135.0000	1075883445.0000	1162437428.0000	1264804652.0000	1015798737.0000	1196767738.0000	1014040383.0000	1096243415.0000	936870451.0000	1006348310.0000	886262153.1000	939319715.9000	1029988274.0000	907375806.3000	985668952.9000	791137943.4000	769053461.3000	773351115.0000
norepinephrine / pyridoxine	23417221.7700	21958935.1300	22649316.7000	18682945.1100	17891747.1500	18140346.8700	13516477.2700	14531118.5100	12807070.0000	16454502.6700	15247371.5000	14485757.0700	17428424.2100	16009678.2400	16372220.7400	12772553.1100	13750611.4400	11746314.7600
ornithine	640406.9326	479134.0525	557595.8231	615803.1880	632198.6602	722179.1483	898292.8671	1684838.6390	1014899.3670	318000.5140	453175.9938	395881.4473	890081.8106	760294.3011	576650.2822	874094.0084	1095081.1860	1134538.1500
orotic acid	7593158.3160	8015555.3970	7690956.0490	5802642.1230	5773654.7110	6385760.7290	3033461.0570	3801768.9190	3088577.9250	7345131.9690	6849037.7900	6877471.5260	8959550.4940	8631595.6080	8589738.5910	2432372.3350	2709202.9460	2303533.0520
O-succinyl-homoserine		24352.9423	6747.1292					22767.7104		23248.9105	20297.3760	7895.6740	49349.7008	8138.6250	18656.0044			
pantothenic acid	21886952.7300	21012406.8900	21327879.6200	23313712.1300	20023746.3000	22614551.0400	15612881.3400	15975231.9800	14326740.0900	19093012.6100	18807453.1400	18044843.3600	21660682.9500	20408759.5600	21590595.6100	14383790.1200	14433112.9000	13059254.5900
phenethylamine		390628.0200	204050.4443	89041.2076	564530.9094	225694.0345	913099.9037		298753.7365	355077.0017	707091.4422	468572.0192	491309.2548	841927.7097	562380.7566	444393.7698	448892.8038	821512.3993
phenylalanine	60908462.7700	56929606.5200	58322588.1000	56719950.3800	52270866.7400	58548967.5400	48810724.6100	49097966.5300	43405605.9900	42019314.8000	38865266.0700	40666537.2000	49808309.2700	48584275.7700	48647119.6500	46210428.7200	48829356.3900	44637394.0500
phenylephrine / synephrine	32101.3172	9151.8161	21777.8828	18608.4748	57159.0071	25197.6297	19011.1060	18149.2559	26437.5480	23620.6496	32633.0293	29482.9213	42776.2064	19123.6734	33139.1736	59871.5677	31850.8942	11410.0734
phosphocreatine	1537927.4000	1445058.1730	1502157.8240	2640795.7840	2183066.0390	2368633.8530	2316976.1150	2424481.3250	2119707.0850	2031024.9020	1889634.4020	1761563.8850	1865020.3870	1773858.5670	2059855.6610	1578096.1470	1825878.1590	1573249.2260
phosphorylcholine+	792960898.5000	737220430.3000	777944669.2000	954006592.9000	814718298.1000	945554398.3000	899135382.3000	929535587.7000	826576110.1000	1212237526.0000	1172364535.0000	1122882692.0000	1231599527.0000	1154369707.0000	1294822967.0000	1065535826.0000	1200031230.0000	1043788776.0000
proline	718524968.1000	696555841.7000	709946409.3000	606261229.1000	573550712.6000	598612143.6000	489025313.9000	510588475.5000	455954634.1000	929078225.2000	922950718.5000	866323438.4000	999235559.2000	1018720926.0000	983718907.6000	751708706.1000	820350561.5000	736686470.9000
pseudouridine	37043.4410	23613.9138	34903.2918	26839.9335	24475.5005	19194.9790		8904.6662	36463.5389	17304.7853	15660.5921	25071.2084	9478.6254	52089.7411	17564.0001	9421.0610	40358.2095	22126.6210
putrescine	711067.2060	4954483.2980	4802809.1930	971251.0665	6357187.3420	9199020.7350	738236.2884	8876518.2860	7839805.2390	773141.0920	3922009.6940	4376429.4610	616593.8488	5137306.0660	5488162.7610	849474.6730	4971306.1920	3925169.5450
pyridoxal	1270001.5010	1378235.3840	1406481.5480	1147063.6160	1013928.8580	1126161.6630	862641.4465	1082068.8350	1066077.4490	1098991.7260	1079905.1720	945256.7599	1123459.6600	995737.2476	1104714.9030	983137.7071	1176244.0520	846365.2711
pyroglutamic acid	292249991.2000	254188656.5000	240392921.4000	279699836.7000	222913124.4000	220908359.4000	241134237.4000	206435046.4000	184378738.5000	208611236.7000	199575879.8000	229212585.1000	204126353.4000	177089447.8000	244623755.4000	151957813.1000	168231565.8000	169560132.0000
pyrroline hydroxycarboxylic acid	157474045.5000	140040682.0000	149403756.9000	167659248.5000	138528742.8000	161222757.5000	133666385.8000	137373023.8000	120739023.4000	105184566.7000	93238742.2300	98041141.4100	108911037.5000	98312116.6700	106432529.3000	103823399.7000	103791658.5000	98851341.6000
pyruvic acid	25761230.5000	23224031.0800	21360902.3700	21792257.3200	19132415.6500	19741639.9400	24431995.0200	21509217.5200	18654407.9500	29370684.0900	26372014.4500	26168432.0000	26186761.6000	25121213.7600	25490848.1900	15189202.6400	18722775.5400	12929698.2900
S-adenosyl-L-homocysteine	389941.9491	439560.7906	446024.4422	547296.2797	314597.2714	440287.9147	356005.8668	281778.3785	280085.4556	453859.8294	361935.6333	547799.7067	476962.8050	336659.7161	314957.8204	281316.0050	124751.1859	280521.4454
S-adenosyl-L-methionine+	3648376.8460	3513041.5570	4138114.5550	4176050.9410	4336089.6660	5352062.3180	3841127.0800	3791456.8250	3347159.5820	4038968.7390	4096066.6480	3224079.5040	4429384.6390	4244153.7330	4684801.7320	2814631.8880	2989877.6450	2536408.3190
sarcosine	125701.7504	59092.4108								464928.2089	122682.4932	430459.6454		270093238.9000	260709414.5000	196426700.2000	216595378.7000	219635.3776
serine	7812468.5580	9263967.1300	9893259.0400	12212822.2200	11386605.8700	12519682.2900	18027987.1300	14867772.3800	13672546.9400	6104278.9270	5965603.5470	6167644.8110	5899347.5250	6094044.4300	5918751.5680	9768825.4540	11714749.1000	10673759.8400
serotonin	830907.5713	672319.7989	728593.5132	667122.3667	671033.8296	770052.6110	571111.2902	613839.7806	533707.7506	505960.7740	462392.5566	442409.6623	608681.7382	571551.9482	573550.7906	504198.6573	566508.1303	501684.0417
sorbitol / galactitol / L-iditol / manitol	1893204.2880	556287.8425	663831.4715	570508.0295	598873.2675	677100.2834	709792.0615	785753.9453	707818.3548	561301.7237	550097.7225	534554.2271	581579.2424	613259.0007	646767.7012	847361.5222	915539.5596	885688.9019
spermidine	710968486.4000	783934367.3000	825905857.8000	786942121.5000	691982777.6000	706408610.7000	478627779.1000	363777298.4000	245346178.5000	183289398.1000	149540473.4000	159995588.8000	143722555.5000	142480969.3000	141087236.6000	150543283.2000	151814035.1000	148979651.7000
spermine	1182609420.0000	1261097326.0000	1266319993.0000	1309561682.0000	1203725237.0000	1250406846.0000	1267140470.0000	1250797532.0000	1135054692.0000	1254194226.0000	1156544094.0000	1207199859.0000	1121338147.0000	1158368230.0000	1097761790.0000	1148193605.0000	1206490390.0000	1121589963.0000
succinic acid	55226805.4500	33033203.1000	35663468.4600	23446978.6400	21561371.6400	29904926.1200	19478967.6000	28389358.0000	24383953.1400	61685508.3500	59497025.9200	55531411.5300	51353287.0600	50550761.6100	51036368.6200	37108848.6300	46925772.0400	37413708.7800
taurine	254085662.7000	240394424.6000	245786798.6000	237834509.5000	232951763.0000	239928775.1000	286406948.3000	294752763.6000	260935324.6000	228751370.0000	214770295.4000	214830379.6000	250704937.6000	254409482.1000	237693596.2000	225989470.5000	264675453.2000	230816858.0000
thiamine+	17070259.8500	17339887.9800	17201604.7700	13272571.7200	13000523.9500	13581045.9000	6483035.8860	6639974.2380	6114790.0790	5251344.5320	5130564.9550	4709131.9780	4546937.4760	5002573.8480	4175464.7690	4370038.7990	4214518.0040	3902325.8820
thiamine diphosphate+	87597.3239	140861.7907	91028.5972	139017.9498	128790.0360	105010.0971	80656.1353	52174.0158	42762.1542	57350.0443	43964.1458	12719.3900	43357.3334	39087.1794	25103.6556	11977.0096	17684.9920	12550.2370
thiamine phosphate+	239137.3676	266351.1543	398238.8216	297168.1011	300958.2578	360216.7054	223462.0134	218547.0655	229103.1097	227917.4700	257370.7380	267347.4097	210267.0863	236826.0057	200986.0319	215451.0609	240211.6858	211732.0742
thymidine		51690.4108	41952.5819	53233.9241	34619.1378	14840.0387	31098.3248		7339.4631	7286.0609	8547.8201	16583.3377	8037.2234		21876.7117		7803.4532	11781.3878
thymine	183024.4658	63630.8401	153622.2616	63847.7811	192906.0954	41973.3677				87409.3770	172301.5733	511953.5423	136364.1284			305485.0198	194568.2665	
tryptamine	46219.6810		7879.2181		20032.3077			8546.2272					9613.8476		9454.5050	51267.8263	9537.0294	11642.6650
tryptophan	11937817.8900	11120139.4100	11381581.4500	10473982.3700	9881880.2080	11218396.5000	9210647.7380	9287892.4580	8607503.8780	8434412.7240	7956688.0430	8342316.1600	10522655.6800	10368735.6200	10181494.0100	9675106.0810	9965000.6600	9419787.5780
tyrosine	34612955.3800	32807792.0900	33458443.8900	31883419.6800	30668687.5900	31470524.3000	23874801.1100	25649923.0100	22131193.5700	24647964.6600	22734462.8500	23001573.6400	24614626.0400	27776269.5100	26286317.7800	22860479.1200	26772839.9700	21224222.6000
UDP	1000777.1300	1079393.7210	1191952.6840	1389390.3180	1211748.3030	1536298.2440	1277751.6830	1215082.4680	1165047.0720	2806449.2770	2674238.5660	2239497.6430	2621100.3090	2291808.1490	2920466.5370	1954128.2670	2147939.1510	1996388.4710
UDP-D-galactose / UDP-D-glucose	2293909.8510	1915027.4340	2196862.7640	3091508.5430	2580133.8750	2809385.4490	2945447.5540	2876941.4440	2514150.5060	3010376.6250	2893836.2260	2890612.4180	3281879.1030	2922916.0520	3502203.8860	2324479.9250	2914977.3660	2474127.1800
UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamine	9261076.8510	7979246.9530	8671789.9840	12383463.2300	9325085.8260	11214695.8400	12486392.5400	14517893.1300	11362486.9800	11747202.3700	10666308.6800	10572211.4100	11458053.3300	8906494.6130	9651131.1860	8967717.1350	11030606.4200	9671106.3480
UMP	1602689.4200	1380832.9240	1489043.5110	1387669.4450	1033562.6180	1096141.8370	988932.1986	699265.5631	596758.1541	11087215.1100	10600741.8900	11919795.7100	10889177.7500	8851510.4930	11236036.3100	7785656.8090	9410734.0920	9330155.7980
uracil	697766.5983	585096.2330	747732.5626	619350.9930	573423.4517	679039.9491	483508.8497	599942.8640	473629.9830	568299.4253	628065.9812	740026.5609	855233.5129	839389.1936	1080429.7690	460650.9355	676673.4701	474259.3490
uric acid	627390.6377	82216.9804	68751.7004	63110.5817	26738.8717	94401.3887	57786.0923	81462.8653	51558.7848	27004.4936	56264.1312	59174.1421	48964.8565	55374.2914	74978.1688	86191.1485	52674.5163	43522.6395
uridine	186801.7165	163888.1826	104597.4228	90062.2744	73166.8717	36499.4544	54385.5539	52480.8363	39719.3406	246566.6139	310538.3057	263945.7871	296194.7727	253033.2542	281374.0605	196460.0482	221467.6972	234482.2714
UTP	378570.8526	996135.7917	959306.3828	1389308.2020	1202177.5370	1457247.1310	1973476.4300	1602156.9660	1588866.6480	315376.8267	473347.3130	327896.8644	352483.1103	478238.3752	490149.8096	370274.0771	346205.1222	403310.9878
valine / norvaline	18568523.9100	17509371.6900	17970270.8800	17742554.6800	16321794.2100	18200328.2600	16683647.8300	17095087.5700	14940294.7800	13348501.3800	12028205.6600	12007219.4100	14401399.8600	15234165.1300	14132463.9000	13517317.0600	16244732.6500	14036021.0100
vitamin B2	7098.5387		15565.4805		8157.2112						18267.1696		9750.6308	32964.9517	16385.3980	28293.7945	8134.3150	10874.0369
xanthine	2102863.6500	2044891.7650	2105336.6130	1639595.0080	1469504.6330	1531654.3960	1451864.8050	1475418.7700	1248511.1790	1711405.5390	1350794.2160	1372622.8030	1617919.5130	1690527.0220	1503272.3260	1228943.6170	1202121.0870	1156905.7710
XMP	133150.3548	87086.7500	149718.8629	191732.1470	166121.8920	184299.5752	266365.8680	188486.6391	200452.8424	380521.4013	491040.8950	405885.2214	244690.5914	382783.9493	450754.2313	144961.4725	321235.7879	425811.9764
xylitol / arabitol / ribito	1085219.3520	963601.2787	1384572.8010	1409050.9230	1235198.6690	1026832.1590	1386992.0490	1479235.5360	1181992.2710	1393873.8000	1284965.6420	1296393.6440	1379903.1310	1294493.0690	1510654.5500	1206558.5950	1244182.3200	1140280.4200
y-glutamylcysteine	5365123.0970	4926709.7790	5180405.9330	5256247.7860	4594121.8620	5045071.8550	6461862.1950	6231222.4210	5955702.9730	9481401.9780	9580336.9030	10576210.6400	9176158.3000	9211419.9430	10886031.4200	7036464.4400	8768252.4010	8132445.3520
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
1-phenylethylamine			C02455						
2- / 3-phosphoglycerate			C00631 / C00197						
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine			C04640						
2-HG			C02630						
2-hydroxybutanoic acid			C05984						
2-keto-isovaleric acid			C00141						
3- / 7-methylguanine			C02230 / C02242						
3-hydroxypropanoic acid			C01013						
3-phosphohydroxypyruvic acid			C03232						
3-ureidopropionic acid			C02642						
4-hydroxybutanoic acid			C00989						
4-hydroxyproline / 5-aminolevulinate			C01157 / C00430						
5-aminopentanoic acid			C00431						
5-methylcytosine			C02376						
5'-methylthioadenosine			C00170						
6-aminohexanoate			C02378						
6-phosphogluconic acid			C00345						
acetoin			C00466						
acetylcarnitine+			C02571						
acetylcholine+			C01996						
aconitic acid			C00417-C02341						
adenine			C00147						
adenosine			C00212						
adenylosuccinate			C03794						
ADP / dGDP			C00008 / C00361						
a-KG			C00026						
alanine			C00041						
allantoin			C01551						
AMP / dGMP			C00020 / C00362						
anserine			C01262						
arginine			C02385 						
asparagine			C16438						
aspartic acid			C16433						
ATP / dGTP			C00002 / C00286						
b-alanine			C00099						
betaine+			C00719						
bilirubin			C00486						
biotin			C00120						
butyric acid / (iso)			C00246 / C02632						
"cAMP(2',3') / cAMP(3',5')"			C02353 / C00575						
carnitine+			C00487						
carnosine			C00386						
CDP			C00112						
CDP-choline+			C00307						
choline+			C00114						
citraconic acid			C02226						
citramalic acid			C00815						
citrate / citrate(iso)			C00158 / C00311						
citrulline			C00327						
CMP			C00055						
coenzyme A			C00010						
creatine			C00300						
creatinine			C00791						
CTP			C00063						
cystathionine			C00542						
cysteine			C00736-C00097						
cystine			C01420						
cytidine			C00475						
cytosine			C00380						
dCMP			C00239						
dehydroascorbic acid			C05422						
deoxyadenosine			C00559						
deoxycarnitine+			C01181						
deoxycytidine			C00881						
deoxyguanosine			C00330						
deoxyinosine			C05512						
D-galactonic acid / D-gluconic acid			C00880 / C00257						
D-galactosamine/glucosamine-1/6-phosphate			C03783 / C00352 / C06377 / C06156						
D-glucuronolactone / D-galacturonolactone			C02670 / D06430						
dihydroorotate			C00337						
dimethylglycine			C01026						
D-ribose-1/5-phosphate / D-ribulose 5-phosphate			C00620 / C00117 / C00199						
D-sedoheptulose			C02076						
D-sedoheptulose-7-phosphate			C05382						
dTMP			C00364						
epinephrine / normetanephrine			C00788 / C05589						
"F-1,6/2,6-DP"			C00354 / C00665						
F1P			C01094						
F6P / G1P / G6P			C00085 / C00103 / C00092						
FAD			C00016						
fructose / mannose			C00095 / C00159						
fumaric acid			C00122						
GABA			C00334						
galactosamine / glucosamine / mannosamine			C02262 / C00329 / C03570						
galactose / glucose			C00124 / C00267						
GalNAC / GlcNAC			C01074 / C00140						
GAP / DHAP			C00118 / C00111						
GDP			C00035						
GDP-L-fucose			C00325						
glutamate			C00302						
glutamine			C00303						
glutathione			C00051						
glutathione disulfide			C00127						
glyceric acid			C00258						
glycerol 2/3-phosphate			C02979 / C00093						
glycine			C00037						
GMP			C00144						
GTP			C00044						
guanidine			C17349						
guanidinoacetate			C00581						
guanine			C00242						
guanosine			C00387						
histidine			C00768						
homocysteine			C05330						
homoserine / threonine / allothreonine			C00263 / C00188 / C05519						
hydroxyphenyllactic acid / HVA			C03672 / C05582						
hydroxypyruvic acid			C00168						
hypoxanthine			C00262						
imidazole-4-acetate			C02835						
IMP			C00130						
inosine			C00294						
kynurenine			C01718						
lactic acid			C01432						
L-arginino-succinate			C03406						
L-cysteic acid			C00506						
leucine / leucine(iso) / norleucine			C16439 / C16434 / C01933						
L-NMMA			C03884						
lysine			C00047/C00739						
maleic acid			C01384						
malic acid			C00711						
malonic acid			C00383						
ManNAC			C00645						
mesaconic acid			C01732						
methionine			C00073						
methylmalonic acid			C02170						
N1-acetylspermine			C02567						
N1/N8-acetylspermidine			C00612 / C01029						
N-acetylaspartic acid			C01042						
N-acetyl-b-alanine / N-acetyl-alanine			C01073 / n/a						
N-acetyl-DL-serine / O-acetyl-L-serine			n/a / C00979						
N-acetylglucosamine 1/6-phosphate			C04501 / C00357						
N-acetyl-L-glutamic acid			C00624						
NAD+			C00003						
N-carbamoyl-L-aspartate			C00438						
N-formyl-L-methionine			C03145						
nicotinamide			C00153						
nicotinamide riboside+			C03150						
N-methylaspartic acid			C12269						
norepinephrine / pyridoxine			C00547 / C00314						
ornithine			C01602						
orotic acid			C00295						
O-succinyl-homoserine			C01118						
pantothenic acid			C00864						
phenethylamine			C05332						
phenylalanine			C02057						
phenylephrine / synephrine			C07441 / C04548						
phosphocreatine			C02305						
phosphorylcholine+			C00588						
proline			C16435						
pseudouridine			C02067						
putrescine			C00134						
pyridoxal			C00250						
pyroglutamic acid			C01879-C02237						
pyrroline hydroxycarboxylic acid			C04281						
pyruvic acid			C00022						
S-adenosyl-L-homocysteine			C00021						
S-adenosyl-L-methionine+			C00019						
sarcosine			C00213						
serine			C00716						
serotonin			C00780						
sorbitol / galactitol / L-iditol / manitol			C00794 / C01697 / C01507 / C00392						
spermidine			C00315						
spermine			C00750						
succinic acid			C00042						
taurine			C00245						
thiamine+			C00378						
thiamine diphosphate+			C00068						
thiamine phosphate+			C01081						
thymidine			C00214						
thymine			C00178						
tryptamine			C00398						
tryptophan			C00806						
tyrosine			C01536						
UDP			C00015						
UDP-D-galactose / UDP-D-glucose			C00052 / C00029						
UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamine			C00203 / C00043						
UMP			C00105						
uracil			C00106						
uric acid			C00366						
uridine			C00299						
UTP			C00075						
valine / norvaline			C16436 / C01799						
vitamin B2			C00255						
xanthine			C00385						
XMP			C00655						
xylitol / arabitol / ribito			C00379/ C01904 / C00532 / C00474						
y-glutamylcysteine			C00669						
METABOLITES_END
#END