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Analysis: Other POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-Diaminopropane1,3-DiaminopropaneME529767-C00986-75.0928
1-Amino-1-cyclopentanecarboxylate1-Azaniumylcyclopentane-1-carboxylateME529762-C03969-130.0865
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME529763-C01234-102.0556
1-Methyl-2-pyrrolidinoneN-Methylpyrrolidin-2-oneME529817-C11118-100.0763
1-Methyladenosine1-MethyladenosineME529764-C02494-282.1202
1-Methylhistamine1-MethylhistamineME529765-C05127-126.1032
1-Methylnicotinamide1-Methyl nicotinamideME529766-C02918-137.071
2,3-Diaminopropionate2,3-Diaminopropionic acidME529768-C06393-105.0666
2,4-Diaminobutyrate2,4-Diaminobutyric acidME529769-C03283-119.0819
2,4-Dimethylaniline2,4-DimethylanilineME529770-C11003-122.0969
2AB2S-Aminobutyric acidME529771-C02356-104.0713
2-Aminobenzimidazole-ME529772-C10901-134.0717
2-Aminophenol2-AminophenolME529773-C01987-110.0604
2'-DeoxycytidineDeoxycytidineME529774-C00881-228.0979
2'-DeoxyguanosineDeoxyguanosineME529775-C00330-268.1060
2'-DeoxyinosineDeoxyinosineME529776-C05512-253.0871
2-Deoxystreptamine2-DeoxystreptamineME529777-C02627-163.1083
2-Guanidinobenzimidazole2-GuanidinobenzimidazoleME529778-C10898-176.0935
3,3',5-TriiodothyronineLiothyronineME529779-C02465-651.7977
3,5-Diiodo-tyrosine3,5-Diiodo-L-tyrosineME529780-C01060-433.8757
3-Aminoisobutyrate3-Aminoisobutanoic acidME529781-C05145-104.0712
3-Aminopropane-1,2-diol(S)-3-Amino-1,2-propanediolME529782-C06057-92.0711
3-Aminopropionitrile-ME529783-C05670-71.0610
3-Chloroalanine-ME529784-C02635-124.0160
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME529785-C00632-154.0504
3-HydroxykynurenineHydroxykynurenineME529786-C02794-225.0875
3-IodotyrosineIodotyrosineME529787-C02515-307.9782
3-Methoxytyramine3-MethoxytyramineME529788-C05587-168.1016
3-Methyladenine3-MethyladenineME529789-C00913-150.0777
3-Methylguanine3-MethylguanineME529790-C02230-166.0728
3-Methylhistidine3-MethylhistidineME529791-C01152-170.0930
4-Amino-3-hydroxybutyrate-ME529793-C03678-120.0660
4-AminosalicylateAminosalicylic acidME529794-C02518-154.0505
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME529792-C05135-154.0976
4-HydroxymethylimidazoleImidazole-4-methanolME529795-C05562-99.0560
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME529796-C04294-144.0479
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME529797-C03114-147.0923
5-Aminolevulinate5-Amino-levulinic acidME529798-C00430-132.0663
5-Aminovalerate5-Aminopentanoic acidME529799-C00431-118.0868
5'-Deoxyadenosine5'-DeoxyadenosineME529800-C05198-252.1099
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME529801-C05635-192.0666
5-Hydroxylysine5-HydroxylysineME529802-C16741-163.1083
5-Hydroxytryptophan5-Hydroxy-tryptophanME529803-C00643-221.0930
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME529804-C05660-206.0816
5-Methoxytryptamine5-MethoxytryptamineME529805-C05659-191.1184
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME529806-C03592-242.1146
5-Methylcytosine5-MethylcytosineME529807-C02376-126.0663
5-Methyltetrahydrofolate5-Methyl-THFME529808-C00440-460.1979
5-Methylthioadenosine5'-MethylthioadenosineME529809-C00170-298.0973
5-OxoprolinePyroglutamic acidME529810-C01879-128.0369
6-AminohexanoateAminocaproic acidME529811-C02378-132.1003
6-Hydroxynicotinate6-Hydroxynicotinic acidME529812-C01020-140.0338
6-Methylaminopurine6-MethyladenineME529813-C08434-150.0778
7,8-Dihydrobiopterin7,8-DihydrobiopterinME529814-C02953-240.1096
7,8-Dihydroneopterin7,8-DihydroneopterinME529815-C04874-256.1043
7-Methylguanine7-MethylguanineME529816-C02242-166.0726
AcetylcholineAcetylcholineME529542-C01996-146.1177
AdenineAdenineME529543-C00147-136.0622
AdenosineAdenosineME529544-C00212-268.1047
ADMADimethylarginineME529545-C03626-203.1481
AgmatineAgmatineME529546-C00179-131.1296
AICARAICARME529547-C04677-339.0709
AlaAlanineME529548-C00041-90.0557
Ala-AlaAla-AlaME529549-C00993-161.0922
AllantoinAllantoinME529550-C01551-159.0519
AlliinAlliinME529551-C08265-178.0534
alpha-AminoadipateAminoadipic acidME529552-C00956-162.0781
alpha-Methylbenzylamine-ME529553-C02455-122.0969
Alpha-MethylserineAlpha-MethylserineME529554-C02115-120.0659
AmantadineLoratadineME529555-C06818-152.1432
AnilineAnilineME529556-C00292-94.0655
AnserineAnserineME529557-C01262-121.0688
Anthranilate2-Aminobenzoic acidME529558-C00108-138.0552
ArgArginineME529559-C00062-175.1193
Arginine ethyl esterEthyl arginateME529560-C01404-203.1508
ArgininosuccinateArgininosuccinic acidME529561-C03406-291.1301
AsnAsparagineME529562-C00152-133.0614
AspAspartic acidME529563-C00049-134.0452
BenzamideBenzamideME529564-C09815-122.0604
BenzamidineBenzamidineME529565-C01784-121.0764
Benzimidazole1H-BenzimidazoleME529566-C02009-119.0604
beta-Alabeta-AlanineME529567-C00099-90.0553
beta-Ala-Lys-ME529568-C05341-109.5789
beta-CyanoalanineCyanoalanineME529569-C02512-115.0506
beta-ImidazolelactateImidazolelactic acidME529570-C05568-157.0613
BetaineBetaineME529571-C00719-118.0869
Betaine aldehydeBetaine aldehydeME529572-C00576-102.0918
beta-Leucinebeta-LeucineME529573-C02486-132.1026
BetonicineBetonicineME529574-C08269-160.0971
Bis(3-aminopropyl)amineNorspermidineME529575-C03375-132.1498
CadaverineCadaverineME529576-C01672-103.1237
CanavanineCanavanineME529577-C00308-177.0984
CarnitineCarnitineME529578-C00318-162.1127
CarnosineCarnosineME529579-C00386-114.0610
CastanospermineCastanospermineME529580-C02256-190.1079
CholineCholineME529581-C00114-104.1076
CitrullineCitrullineME529582-C00327-176.1033
CreatineCreatineME529583-C00300-132.0773
CreatinineCreatinineME529584-C00791-114.0666
CyanocobalaminCyanocobalaminME529585-C02823-678.2938
CyclohexylamineCyclohexylamineME529586-C00571-100.1127
CysCysteineME529587-C00097-122.0275
Cys-GlyCys-GlyME529588-C01419-179.0491
CystathionineCystathionineME529589-C02291-223.0763
CysteamineCysteamineME529590-C01678-78.0377
Cysteine-glutathione disulphide-ME529591---214.0521
CystineCystineME529592-C00491-241.0319
CytidineCytidineME529593-C00475-244.0933
CytosineCytosineME529594-C00380-112.0508
DesthiobiotinDethiobiotinME529595-C01909-215.1389
DiethanolamineDiethanolamineME529596-C06772-106.0867
DihydrouracilDihydrouracilME529597-C00429-115.0447
DOPADOPAME529598-C00355-198.0768
DopamineDopamineME529599-C03758-154.0871
EctoineEctoineME529600-C06231-143.0820
EpinephrineEpinephrineME529601-C00788-184.0978
Ethanolamine phosphatePhosphoethanolamineME529602-C00346-140.0134
GABAgamma-Aminobutyric acidME529603-C00334-104.0712
gamma-Butyrobetaine3-DehydroxycarnitineME529604-C01181-146.1178
gamma-Glu-2ABgamma-Glutamyl-2-aminobutanoateME529605---233.1140
gamma-Glu-cysgamma-GlutamylcysteineME529606-C00669-251.0703
gamma-Guanidinobutyrate4-Guanidinobutanoic acidME529607-C01035-146.0928
GlnGlutamineME529608-C00064-147.0767
GluGlutamic acidME529609-C00025-148.0606
GlucosaminateGlucosaminic acidME529610-C03752-196.0826
GlucosamineGlucosamineME529611-C00329-180.0870
Glu-GluGlu-GluME529612-C01425-277.1073
Glutathione(ox)Oxidized glutathioneME529613-C00127-307.0846
Glutathione(red)GlutathioneME529614-C00051-308.0915
GlyGlycineME529615-C00037-76.0402
Glycerophosphorylcholinesn-Glycero-3-phosphocholineME529616-C00670-258.1104
Gly-GlyGly-GlyME529617-C02037-133.0615
Gly-LeuGly-LeuME529618-C02155-189.1240
Gramine-ME529619-C08304-175.1236
GuanidinoacetateGuanidoacetic acidME529620-C00581-118.0613
GuanidinosuccinateGuanidinosuccinic acidME529621-C03139-176.0674
GuanineGuanineME529622-C00242-152.0577
GuanosineGuanosineME529623-C00387-284.1004
HarmanHarmanME529624-C09209-183.0922
HexylamineHexylamineME529625-C08306-102.1281
HisHistidineME529626-C00135-156.0773
HistamineHistamineME529627-C00388-112.0876
HistidinolL-HistidinolME529628-C00860-142.0979
HomocarnosineHomocarnosineME529629-C00884-121.0685
HomocysteineHomocysteineME529630-C00155-136.0435
HomocystineHomocystineME529631-C01817-269.0638
HomoserineHomoserineME529632-C00263-120.0680
HydroxyprolineHydroxyprolineME529633-C01015-132.0654
HydroxyureaHydroxyureaME529634-C07044-77.0351
HypotaurineHypotaurineME529635-C00519-110.0270
HypoxanthineHypoxanthineME529636-C00262-137.0460
Ibotenate-ME529637-C10600-159.0402
IleIsoleucineME529638-C00407-132.1022
Imidazole-4-acetateImidazoleacetic acidME529639-C02835-127.0501
Indole-3-acetaldehydeIndoleacetaldehydeME529640-C00637-160.0697
Indole-3-acetamide1H-Indole-3-acetamideME529641-C02693-175.0822
Indole-3-acetateIndoleacetic acidME529642-C00954-176.0709
Indole-3-ethanolTryptophanolME529643-C00955-162.0954
InosineInosineME529644-C00294-269.0887
Isoamylamine3-Methyl-1-butylamineME529645-C02640-88.1124
Isobutylamine-ME529646-C02787-74.0974
Isonicotinamide-ME529647-C02421-123.0552
IsopropanolamineIsopropanolamineME529648-C05771-76.0766
KynurenineKynurenineME529649-C00328-209.0929
LeuLeucineME529650-C00123-132.1023
Leu-Leu-TyrLeu-Leu-TyrME529651-C11331-408.2503
LysLysineME529652-C00047-147.1130
LysinamideLysinamideME529653-C01930-146.1297
Mannosamine2-Amino-2-deoxy-D-mannoseME529654-C03570-180.0869
MelamineMelamineME529655-C08737-127.0727
MelatoninMelatoninME529656-C01598-233.1293
MetMethionineME529657-C00073-150.0585
MetforminMetforminME529658-C07151-130.1092
Methionine sulfoxideMethionine sulfoxideME529659-C02989-166.0537
Methionine sulfoximineMethionine sulfoximineME529660-C03510-181.0642
MethylguanidineMethylguanidineME529661-C02294-74.0720
MuramateMuramic acidME529662-C06470-252.1081
MuscimolMuscimolME529663-C08311-115.0507
N1-AcetylspermidineN1-AcetylspermidineME529667-C00612-188.1763
N1-AcetylspermineN1-AcetylspermineME529668-C02567-123.1207
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME529665-C03413-144.1255
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME529666---230.1841
N6-Methyl-2'-deoxyadenosineN6-Methyl-2'-deoxyadenosineME529670-C03795-266.1260
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME529669-C03793-189.1601
N8-AcetylspermidineN8-AcetylspermidineME529671-C01029-188.1745
N-AcetylglucosamineN-Acetyl-D-glucosamineME529672-C00140-222.0978
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME529673-C01239-221.1126
N-AcetylhistidineN-AcetylhistidineME529674-C02997-198.0883
N-AcetylornithineN-AcetylornithineME529675-C00437-175.1082
N-AcetylputrescineN-AcetylputrescineME529676-C02714-131.1169
N-AcetylvalineN-AcetylvalineME529677---160.0973
N-alpha-Benzenolarginine ethylesterBz-Arg-OEtME529679-C01670-307.1771
N-alpha,N-alpha-DimethylhistidineN,N-DimethylhistidineME529678-C04259-184.1085
n-Butyl a-Picolinate-ME529680---180.1026
N-epsilon-AcetyllysineN6-AcetyllysineME529681-C02727-189.1243
N-gamma-EthylglutamineN(5)-Ethyl-glutamineME529682-C01047-175.1078
NicotinamideNiacinamideME529683-C00153-123.0556
NicotineNicotineME529684-C00745-163.1231
N-MethylalanineN-MethylalanineME529685-C02721-104.0713
N-MethylanilineN-MethylanilineME529686-C02299-108.0812
N-MethylglutamateN-Methyl-glutamic acidME529687-C01046-162.0763
NMNNicotinamide ribotideME529688-C00455-335.0639
N,N-DimethylglycineDimethylglycineME529664-C01026-104.0711
N-omega-MethyltryptamineN-MethyltryptamineME529689-C06213-175.1235
NoradrenalineXi-NorepinephrineME529690-C00547-170.0820
NornicotineNornicotineME529691-C06524-149.1073
o-AcetylcarnitineCAR 2:0ME529692-C02571-204.1236
O-AcetylserineO-AcetylserineME529693-C00979-148.0607
OctopineOctopineME529694-C04137-247.1312
OctylamineOctylamineME529695-C01740-130.1597
OphthalmateOphthalmic acidME529696---290.1351
OrnithineOrnithineME529697-C00077-133.0975
o-Succinylhomoserineo-SuccinylhomoserineME529698-C01118-220.0817
p-Aminobenzoatep-Aminobenzoic acidME529699-C00568-138.0543
PhePhenylalanineME529700-C00079-166.0867
PhenethylaminePhenylethylamineME529701-C05332-122.0968
Phenylethanolamine2-HydroxyphenethylamineME529702-C02735-138.0917
Phe-PhePhe-PheME529703---313.1551
PhosphorylcholineCholine phosphateME529704-C00588-184.0742
PicolinamidePicolinamideME529705-C01950-123.0554
PipecolatePipecolic acidME529706-C00408-130.0865
ProProlineME529707-C00148-116.0710
Proline betaineProline betaineME529708-C10172-144.1023
Pseudopelletierinepsi-PelletierineME529709-C10865-154.1233
PterinPterinME529710-C00715-164.0570
PurinePurineME529711-C15587-121.0516
Purine ribosideNebularineME529712-C01736-253.0942
Putrescine(1,4-Butanediamine)PutrescineME529713-C00134-89.1078
Pyrazole1H-pyrazoleME529714-C00481-69.0462
PyridoxalPyridoxalME529715-C00250-168.0662
PyridoxaminePyridoxamineME529716-C00534-169.0970
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME529717-C00647-249.0637
PyridoxinePyridoxineME529718-C00314-170.0815
RiboflavinRiboflavinME529719-C00255-377.1457
SaccharopineSaccharopineME529720-C00449-277.1401
SAHS-AdenosylhomocysteineME529721-C00021-193.0688
SAM+S-AdenosylmethionineME529722-C00019-200.0768
SarcosineSarcosineME529723-C00213-90.0554
SDMASymmetric dimethylarginineME529724---203.1516
SepiapterinSepiapterinME529725-C00835-238.0941
SerSerineME529726-C00065-106.0503
SerotoninSerotoninME529727-C00780-177.1028
S-LactoylglutathioneS-LactoylglutathioneME529728-C03451-380.1125
S-MethylmethionineS-MethylmethionineME529729-C03172-164.0746
SpermidineSpermidineME529730-C00315-146.1659
SpermineSpermineME529731-C00750-102.1153
SynephrineSynephrineME529732-C04548-168.1024
TaurineTaurineME529733-C00245-126.0225
TaurocyamineTaurocyamineME529734-C01959-168.0436
TetrahydropalmatineTetrahydropalmatineME529735-C02890-356.1863
ThiamineThiamineME529736-C00378-265.1125
Thiamine monophosphateThiamine monophosphateME529737-C01081-345.0788
ThrThreonineME529738-C00188-120.0659
ThymidineThymidineME529739-C00214-243.0990
ThymineThymineME529740-C00178-127.0511
trans-Zeatintrans-ZeatinME529741-C00371-220.1198
TRHThyrotropin releasing hormoneME529742-C03958-363.1787
TrientineTrientineME529743-C07166-147.1609
TrigonellineTrigonellineME529744-C01004-138.0561
TrimethylamineTrimethylamineME529745-C00565-60.0816
Trimethylamine N-oxideTrimethylamine N-oxideME529746-C01104-76.0769
TrimethylsulfoniumTrimethyl sulfoniumME529747-C01008-77.0427
TropinePseudotropineME529748-C00729-142.1231
TropinoneTropinoneME529749-C00783-140.1072
TrpTryptophanME529750-C00078-205.0977
TryptamineTryptamineME529751-C00398-161.1081
TyrTyrosineME529752-C00082-182.0819
TyramineTyramineME529753-C00483-138.0917
UracilUracilME529754-C00106-113.0351
UreaUreaME529755-C00086-61.0403
UridineUridineME529756-C00299-245.0797
UrocanateUrocanic acidME529757-C00785-139.0505
ValValineME529758-C00183-118.0867
XanthineXanthineME529759-C00385-153.0413
XanthopterinXanthopterinME529760---180.0516
XanthosineXanthosineME529761-C01762-285.0830


Analysis: Other NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Hydroxydecanoate10-Hydroxydecanoic acidME530052-C02774-187.1364
1-Aminoethylphosphonate-ME530001-C03782-124.0185
2',3'-cCMP2',3' cyclic CMPME530002-C02354-304.0372
2,3-DPG2,3-Diphosphoglyceric acidME530003-C01159-264.9547
2,3-PyridinedicarboxylateQuinolinic acidME530004-C03722-166.0172
2,4-Dihydroxypyrimidine-5-carboxylateUracil-5-carboxylic acidME530005-C03030-155.0115
2,5-DihydroxybenzoateGentisic acidME530006-C00628-153.0211
2-Amino-3-phosphonopropionate-ME530007-C05672-168.0087
2-AminoethylphosphonateCiliatineME530008-C03557-124.0184
2-Deoxyglucose 6-phosphate2-Deoxy-D-glucose 6-phosphateME530009-C06369-243.0302
2-Deoxyribose 1-phosphateDeoxyribose 1-phosphateME530010-C00672-213.0195
2-Furoate2-Furoic acidME530011-C01546-111.0105
2-Hydroxy-4-methylpentanoateD-Leucic acidME530012-C03264-131.0733
2-Hydroxybutyrate2-Hydroxybutyric acidME530013-C05984-103.0415
2-Hydroxyglutarate2-Hydroxyglutaric acidME530014-C02630-147.0312
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME530015---103.0420
2-Hydroxyoctanoate2-Hydroxyoctanoic acidME530016---159.1045
2-Hydroxypentanoate2-Hydroxyvaleric acidME530017---117.0569
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME530018-C05852-151.0418
2-Isopropylmalate2-Isopropylmalic acidME530019-C02504-175.0629
2-OxoadipateOxoadipic acidME530020-C00322-159.0321
2-Oxobutyrate3-Methyl pyruvic acidME530021-C00109-101.0254
2-Oxoglutarate2-Oxoglutaric acidME530022-C00026-145.0158
2-OxoisopentanoateKetoisovaleric acidME530023-C00141-115.0419
2-Oxooctanoate-ME530024---157.0886
2PG2-Phosphoglyceric acidME530025-C00631-184.9882
2-QuinolinecarboxylateQuinaldic acidME530026-C06325-172.0426
2-Thiopheneacetate2-Thienylacetic acidME530027-C02595-141.0039
3-(2-Hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME530028-C01198-165.0579
3-(4-Hydroxyphenyl)propionateDesaminotyrosineME530029-C01744-165.0579
3',5'-Cyclic dAMP-ME530030-C00968-312.0534
3'-AMP3'-AMPME530031-C01367-346.0589
3-Hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME530032-C03761-161.0476
3-Hydroxybutyrate3-Hydroxybutyric acidME530033-C01089-103.0413
3-HydroxypropionateHydroxypropionic acidME530034-C01013-89.0261
3-Indolebutyrate3-Indolebutyric acidME530035-C11284-202.0899
3-Indoxyl sulfateIndoxyl sulfateME530036---212.0051
3-MethylbutanoateIsovaleric acidME530037-C08262-101.0625
3PG3-Phosphoglyceric acidME530038-C00197-184.9882
3-PhenyllactatePhenyllactic acidME530039-C05607-165.0561
3-PhenylpropionateHydrocinnamic acidME530040-C05629-149.0628
3-UreidopropionateUreidopropionic acidME530041-C02642-131.0474
4-Acetylbutyrate5-Ketocaproic acidME530042-C02129-129.0574
4-Hydroxy-3-methoxymandelateVanillylmandelic acidME530043-C05584-197.0476
4-Hydroxymandelate4-Hydroxymandelic acidME530044-C11527-167.0376
4-Methyl-2-oxopentanoateKetoleucineME530045-C00233-129.0575
4-Methylthio-2-oxobutyrate2-Oxo-4-methylthiobutanoic acidME530046-C01180-147.0135
4-Oxohexanoate-ME530047---129.0574
4-OxopentanoateLevulinic acidME530048---115.0419
4-Pyridoxate4-Pyridoxic acidME530049-C00847-182.0473
6-Hydroxyhexanoate6-Hydroxycaproic acidME530050-C06103-131.0725
6-Phosphogluconate6-Phosphogluconic acidME530051-C00345-275.0206
Acetyl CoAAcetyl-CoAME529818-C00024-403.5596
Adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME529819-C00054-426.0257
Adenosine 5'-phosphosulfateAdenosine phosphosulfateME529820-C00224-426.0159
AdenylosuccinateAdenylsuccinic acidME529821-C03794-462.0703
AdipateAdipic acidME529822-C06104-145.0520
ADPADPME529823-C00008-426.0256
ADP-glucoseADP-glucoseME529824-C00498-588.0783
ADP-riboseADP-riboseME529825-C00301-558.0678
AllantoateAllantoic acidME529826-C00499-175.0493
AMPAMPME529827-C00020-346.0591
ATPATPME529828-C00002-505.9922
AzelateAzelaic acidME529829-C08261-187.0998
BarbiturateBarbituric acidME529830-C00813-127.0164
BenzoateBenzoic acidME529831-C00180-121.0312
BenzoylformatePhenylglyoxylic acidME529832-C02137-149.0258
Benzylsuccinate(R)-2-Benzylsuccinic acidME529833-C09816-207.0692
BiotinBiotinME529834-C00120-243.0835
ButyrateButyric acidME529835-C00246-87.0468
cAMP3',5' cyclic AMPME529836-C00575-328.0482
CarbamoylaspartateCarbamoylaspartateME529837-C00438-175.0378
CarbamoylphosphateCarbamoylphosphateME529838-C00169-139.9769
CDPCDPME529839-C00112-402.0143
CDP-cholineCDP-cholineME529840-C00307-547.1238
cGMP3',5' cyclic GMPME529841-C00942-344.0435
CholateCholic acidME529842-C00695-407.2850
cIMP-ME529843-C00943-329.0320
cis-Aconitatecis-Aconitic acidME529844-C00417-173.0108
CitraconateCitraconic acidME529845-C02226-129.0213
CitramalateCitramalic acidME529846-C02614-147.0314
CitrateCitric acidME529847-C00158-191.0208
CMPCMPME529848-C00055-322.0479
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME529849-C00128-613.1431
CoACoenzyme AME529850-C00010-382.5545
CrotonateCrotonic acidME529851-C01771-85.0314
CTPCTPME529852-C00063-481.9809
CysteateCysteic acidME529853-C00506-167.9988
Cysteine S-sulfateCysteine-S-sulfateME529854-C05824-199.9715
Cysteine sulfinate3-Sulfino-alanineME529855-C00606-152.0034
dADPdADPME529856-C00206-410.0305
dAMPdAMPME529857-C00360-330.0635
dATPdATPME529858-C00131-489.9966
DCADeoxycholic acidME529859-C04483-391.2891
dCDPdCDPME529860-C00705-386.0193
dCMPdCMPME529861-C00239-306.0523
dCTPdCTPME529862-C00458-465.9862
Deamido-NAD+Nicotinic acid adenine dinucleotideME529863-C00857-663.0892
DecanoateCapric acidME529864-C01571-171.1409
dGTPdGTPME529865-C00286-505.9920
DHAPDihydroxyacetone phosphateME529866-C00111-168.9936
DigalacturonateDigalacturonic acidME529867-C02273-369.0712
Dihydroorotate4,5-Dihydroorotic acidME529868-C00337-157.0273
dITPdITPME529869-C01345-490.9807
DodecanedioateDodecanedioic acidME529870-C02678-229.1473
DodecanoateLauric acidME529871-C02679-199.1723
dTDPdTDPME529872-C00363-401.0189
dTMPdTMPME529873-C00364-321.0524
dTTPdTTPME529874-C00459-480.9859
dUDPdUDPME529875-C01346-387.0037
dUMPdUMPME529876-C00365-307.0367
dUTPdUTPME529877-C00460-466.9697
F1,6PFructose 1,6-bisphosphateME529878-C00354-338.9921
F6PFructose 6-phosphateME529879-C00085-259.0243
FADFADME529880-C00016-784.1541
FolateFolic acidME529881-C00504-440.1354
FumarateFumaric acidME529882-C00122-115.0055
G1PGlucose 1-phosphateME529883-C00103-259.0248
G3PGlyceraldehyde 3-phosphateME529884-C00661-168.9929
G6PGlucose 6-phosphateME529885-C00092-259.0248
Galacturonate 1-phosphate-ME529886-C04037-273.0051
GDPGDPME529887-C00035-442.0207
GDP-mannoseGDP-mannoseME529888-C00096-604.0733
GluconateGluconic acidME529889-C00257-195.0535
Glucosamine 6-phosphateGlucosamine 6-phosphateME529890-C00352-258.0412
GlucuronateGlucuronic acidME530053-C00191-193.0366
GlutarateGlutaric acidME529891-C00489-131.0368
GlycerateGlyceric acidME529892-C00258-105.0209
Glycerophosphatesn-Glycero-3-phosphateME529893-C00093-171.0078
GlycocholateGlycocholic acidME529894-C01921-464.3029
GlycolateGlycolic acidME529895-C00160-75.0101
GlyoxylateGlyoxylic acidME529896-C00048-72.9943
GMPGMPME529897-C00144-362.0531
GTPGTPME529898-C00044-521.9867
HeptanoateHeptylic acidME529899-C17714-129.0926
HexanoateCaproic acidME529900-C01585-115.0775
HippurateHippuric acidME529901-C01586-178.0529
HomovanillateHomovanillic acidME529902-C05582-181.0521
IDPIDPME529903-C00104-427.0098
IMPIMPME529904-C00130-347.0432
IndolelactateIndolelactic acidME529905-C02043-204.0689
Isethionate2-HydroxyethanesulfonateME529906-C05123-124.9929
Isobutyryl CoAIsobutyryl-CoAME529907-C00630-417.5753
IsocitrateIsocitric acidME529908-C00311-191.0215
ItaconateItaconic acidME529909-C00490-129.0208
ITPITPME529910-C00081-506.9760
LactateLactic acidME529911-C00186-89.0264
MalateMalic acidME529912-C00711-133.0157
MalonateMalonic acidME529913-C00383-103.0053
Malonyl CoAMalonyl-CoAME529914-C00083-425.5549
MethanesulfonateMethanesulfonic acidME529915-C11145-94.9829
Methyl sulfateMethyl sulfateME529916-C02704-110.9776
(Methylthio)acetate(Methylthio)acetic acidME529917-C03173-105.0038
m-Hydroxybenzoate3-Hydroxybenzoic acidME529918-C00587-137.0264
MucateGalactaric acidME529919-C00879-209.0328
N-AcetylaspartateN-Acetylaspartic acidME529920-C01042-174.0430
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME529921-C01073-130.0528
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME529922-C04501-300.0525
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME529923-C00357-300.0522
N-AcetylglutamateN-Acetylglutamic acidME529924-C00624-188.0584
N-AcetylleucineN-AcetylleucineME529925-C02710-172.0994
N-AcetylmethionineN-AcetylmethionineME529926-C02712-190.0570
N-AcetylmuramateN-Acetylmuramic acidME529927-C02713-292.1066
N-AcetylneuraminateN-Acetylneuraminic acidME529928-C00270-308.1019
N-AcetylphenylalanineN-AcetylphenylalanineME529929-C03519-206.0832
NAD+NAD+ME529930-C00003-662.1051
NADHNADHME529931-C00004-664.1206
NADP+NADP+ME529932-C00006-742.0722
NADPHNADPHME529933-C00005-371.5425
N-CarbamylglutamateCarglumic acidME529934-C05829-189.0542
N-FormylaspartateN-Formyl-aspartic acidME529935-C01044-160.0271
N-FormylmethionineN-FormylmethionineME529936-C03145-176.0395
NicotinateNicotinic acidME529937-C00253-122.0268
o-Coumaratetrans-o-Coumaric acidME529938-C01772-163.0422
OctanoateCaprylic acidME529939-C06423-143.1088
o-HydroxybenzoateSalicylic acidME529940-C00805-137.0263
o-HydroxyhippurateSalicyluric acidME529941-C07588-194.0485
O-PhosphoserinePhosphoserineME529942-C01005-184.0043
OrotateOrotic acidME529943-C00295-155.0121
Orotidine 5'-monophosphateOrotidylic acidME529944-C01103-367.0219
P1, P4-Di(adenosine-5') tetraphosphate-ME529945-C01260-417.0211
PantothenatePantothenic acidME529946-C00864-218.1057
p-Coumaratecis-p-Coumaric acidME529947-C00811-163.0423
PelargonatePelargonic acidME529948-C01601-157.1229
PentanoateValeric acidME529949-C00803-101.0626
PEPPhosphoenolpyruvic acidME529950-C00074-166.9776
PhenaceturatePhenylacetylglycineME529951-C05598-192.0685
Phenyl phosphatePhenyl phosphateME529952-C02734-173.0032
PhenylpyruvatePhenylpyruvic acidME529953-C00166-163.0421
PhosphonoacetatePhosphonoacetateME529954-C05682-138.9816
PhthalatePhthalic acidME529955-C01606-165.0218
p-Hydroxybenzoate4-Hydroxybenzoic acidME529956-C00156-137.0264
p-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME529957-C00642-151.0419
PimelatePimelic acidME529958-C02656-159.0679
PorphobilinogenPorphobilinogenME529959-C00931-225.0907
PropionatePropionic acidME529960-C00163-73.0309
Prostaglandin E2PGE2ME529961-C00584-351.2180
Prostaglandin F2alphaPGF2alphaME529962-C00639-353.2370
PRPPPhosphoribosyl pyrophosphateME529963-C00119-388.9481
Pyrrole-2-carboxylatePyrrole-2-carboxylic acidME529964-C05942-110.0260
PyruvatePyruvic acidME529965-C00022-87.0102
QuinateQuinic acidME529966-C00296-191.0582
R5PRibose 5-phosphateME529967-C00117-229.0145
Ribulose 1,5-diphosphateRibulose 1,5-bisphosphateME529968-C01182-308.9813
Ru5PRibulose 5-phosphateME529969-C00199-229.0140
S7PSedoheptulose 7-phosphateME529970-C05382-289.0363
SaccharateGlucaric acidME529971-C00818-209.0329
SebacateSebacic acidME529972-C08277-201.1155
Serine O-sulfateSerine-O-sulfateME529973-C02703-183.9939
ShikimateShikimic acidME529974-C00493-173.0519
SinapateSinapic acidME529975-C00482-223.0640
Sorbitol 6-phosphatePseudouridineME529976-C01096-261.0407
SuccinateSuccinic acidME529977-C00042-117.0210
Succinyl CoASuccinyl-CoAME529978-C00091-432.5622
SyringateSyringic acidME529979-C10833-197.0474
TartrateTartaric acidME529980-C00898-149.0112
TaurocholateTaurocholic acidME529981-C05122-514.2878
TDP-glucosedTDP-glucoseME529982-C00842-563.0722
TerephthalateTerephthalic acidME529983-C06337-165.0219
ThreonateThreonic acidME529984-C01620-135.0315
TiglateTiglic acidME529985-C08279-99.0461
trans-4-Hydroxy-3-methoxycinnamatetrans-Ferulic acidME529986-C01494-193.0511
trans-Aconitatetrans-Aconitic acidME529987-C02341-173.0113
trans-Cinnamatetrans-Cinnamic acidME529988-C00423-147.0471
Trehalose 6-phosphateTrehalose 6-phosphateME529989-C00689-421.0801
UDPUDPME529990-C00015-402.9984
UDP-glucoseUDP-glucoseME529991-C00029-565.0513
UDP-glucuronateUDP-glucuronic acidME529992-C00167-579.0304
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME529993-C00043-606.0777
UMPUMPME529994-C00105-323.0304
UndecanoateUndecylic acidME529995-C17715-185.1567
UrateUric acidME529996-C00366-167.0237
UTPUTPME529997-C00075-482.9648
XanthurenateXanthurenic acidME529998-C02470-204.0321
XMPXMPME529999-C00655-363.0382
XTPXanthosine 5-triphosphateME530000-C00700-522.9712


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