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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-DiaminopropaneME530280-C00986-75.0927
1-Amino-1-cyclopentanecarboxylate1-Azaniumylcyclopentane-1-carboxylateME530274-C03969-130.0865
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME530275-C01234-102.0557
1-Methyl-2-pyrrolidinoneN-Methylpyrrolidin-2-oneME530276-C11118-100.0763
1-Methyladenosine1-MethyladenosineME530277-C02494-282.1200
1-Methylhistamine1-MethylhistamineME530278-C05127-126.1029
1-Methylnicotinamide1-Methyl nicotinamideME530279-C02918-137.0707
2,3-Diaminopropionate2,3-Diaminopropionic acidME530281-C06393-105.0665
2,4-Diaminobutyrate2,4-Diaminobutyric acidME530282-C03283-119.0820
2,4-Dimethylaniline2,4-DimethylanilineME530283-C11003-122.0969
2AB2S-Aminobutyric acidME530284-C02356-104.0712
2-Aminobenzimidazole-ME530285-C10901-134.0719
2-Aminophenol2-AminophenolME530286-C01987-110.0603
2'-DeoxycytidineDeoxycytidineME530287-C00881-228.0989
2'-DeoxyguanosineDeoxyguanosineME530288-C00330-268.1053
2'-DeoxyinosineDeoxyinosineME530289-C05512-253.0871
2-Deoxystreptamine2-DeoxystreptamineME530290-C02627-163.1085
2-Guanidinobenzimidazole2-GuanidinobenzimidazoleME530291-C10898-176.0935
3,3',5-TriiodothyronineLiothyronineME530292-C02465-651.7980
3,5-Diiodo-tyrosine3,5-Diiodo-L-tyrosineME530293-C01060-433.8751
3-Aminoisobutyrate3-Aminoisobutanoic acidME530294-C05145-104.0713
3-Aminopropane-1,2-diol(S)-3-Amino-1,2-propanediolME530295-C06057-92.0711
3-Aminopropionitrile-ME530296-C05670-71.0609
3-Chloroalanine-ME530297-C02635-124.0161
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME530298-C00632-154.0504
3-HydroxykynurenineHydroxykynurenineME530299-C02794-225.0873
3-IodotyrosineIodotyrosineME530300-C02515-307.9782
3-Methoxytyramine3-MethoxytyramineME530301-C05587-168.1017
3-Methyladenine3-MethyladenineME530302-C00913-150.0776
3-Methylguanine3-MethylguanineME530303-C02230-166.0727
3-Methylhistidine3-MethylhistidineME530304-C01152-170.0929
4-Amino-3-hydroxybutyrate-ME530306-C03678-120.0661
4-AminosalicylateAminosalicylic acidME530307-C02518-154.0507
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME530305-C05135-154.0977
4-HydroxymethylimidazoleImidazole-4-methanolME530308-C05562-99.0561
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME530309-C04294-144.0479
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME530310-C03114-147.0923
5-Aminolevulinate5-Amino-levulinic acidME530311-C00430-132.0657
5-Aminovalerate5-Aminopentanoic acidME530312-C00431-118.0868
5'-Deoxyadenosine5'-DeoxyadenosineME530313-C05198-252.1097
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME530314-C05635-192.0662
5-Hydroxylysine5-HydroxylysineME530315-C16741-163.1083
5-Hydroxytryptophan5-Hydroxy-tryptophanME530316-C00643-221.0935
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME530317-C05660-206.0813
5-Methoxytryptamine5-MethoxytryptamineME530318-C05659-191.1187
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME530319-C03592-242.1145
5-Methylcytosine5-MethylcytosineME530320-C02376-126.0664
5-Methyltetrahydrofolate5-Methyl-THFME530321-C00440-460.1924
5-Methylthioadenosine5'-MethylthioadenosineME530322-C00170-298.0972
5-OxoprolinePyroglutamic acidME530323-C01879-128.0367
6-AminohexanoateAminocaproic acidME530324-C02378-132.1024
6-Hydroxynicotinate6-Hydroxynicotinic acidME530325-C01020-140.0348
6-Methylaminopurine6-MethyladenineME530326-C08434-150.0778
7,8-Dihydrobiopterin7,8-DihydrobiopterinME530327-C02953-240.1098
7,8-Dihydroneopterin7,8-DihydroneopterinME530328-C04874-256.1044
7-Methylguanine7-MethylguanineME530329-C02242-166.0727
AcetylcholineAcetylcholineME530054-C01996-146.1177
AdenineAdenineME530055-C00147-136.0622
AdenosineAdenosineME530056-C00212-268.1051
ADMADimethylarginineME530057-C03626-203.1480
AgmatineAgmatineME530058-C00179-131.1297
AICARAICARME530059-C04677-339.0706
AlaAlanineME530060-C00041-90.0555
Ala-AlaAla-AlaME530061-C00993-161.0925
AllantoinAllantoinME530062-C01551-159.0519
AlliinAlliinME530063-C08265-178.0540
alpha-AminoadipateAminoadipic acidME530064-C00956-162.0765
alpha-Methylbenzylamine-ME530065-C02455-122.0969
Alpha-MethylserineAlpha-MethylserineME530066-C02115-120.0659
AmantadineLoratadineME530067-C06818-152.1434
AnilineAnilineME530068-C00292-94.0655
AnserineAnserineME530069-C01262-121.0685
Anthranilate2-Aminobenzoic acidME530070-C00108-138.0551
ArgArginineME530071-C00062-175.1192
Arginine ethyl esterEthyl arginateME530072-C01404-203.1511
ArgininosuccinateArgininosuccinic acidME530073-C03406-291.1311
AsnAsparagineME530074-C00152-133.0612
AspAspartic acidME530075-C00049-134.0453
BenzamideBenzamideME530076-C09815-122.0603
BenzamidineBenzamidineME530077-C01784-121.0766
Benzimidazole1H-BenzimidazoleME530078-C02009-119.0605
beta-Alabeta-AlanineME530079-C00099-90.0554
beta-Ala-Lys-ME530080-C05341-109.5789
beta-CyanoalanineCyanoalanineME530081-C02512-115.0505
beta-ImidazolelactateImidazolelactic acidME530082-C05568-157.0612
BetaineBetaineME530083-C00719-118.0869
Betaine aldehydeBetaine aldehydeME530084-C00576-102.0908
beta-Leucinebeta-LeucineME530085-C02486-132.1035
BetonicineBetonicineME530086-C08269-160.0973
Bis(3-aminopropyl)amineNorspermidineME530087-C03375-132.1498
CadaverineCadaverineME530088-C01672-103.1237
CanavanineCanavanineME530089-C00308-177.0987
CarnitineCarnitineME530090-C00318-162.1127
CarnosineCarnosineME530091-C00386-114.0611
CastanospermineCastanospermineME530092-C02256-190.1083
CholineCholineME530093-C00114-104.1076
CitrullineCitrullineME530094-C00327-176.1034
CreatineCreatineME530095-C00300-132.0772
CreatinineCreatinineME530096-C00791-114.0665
CyanocobalaminCyanocobalaminME530097-C02823-678.2910
CyclohexylamineCyclohexylamineME530098-C00571-100.1129
CysCysteineME530099-C00097-122.0275
Cys-GlyCys-GlyME530100-C01419-179.0492
CystathionineCystathionineME530101-C02291-223.0758
CysteamineCysteamineME530102-C01678-78.0373
Cysteine-glutathione disulphide-ME530103---214.0520
CystineCystineME530104-C00491-241.0323
CytidineCytidineME530105-C00475-244.0940
CytosineCytosineME530106-C00380-112.0509
DesthiobiotinDethiobiotinME530107-C01909-215.1391
DiethanolamineDiethanolamineME530108-C06772-106.0867
DihydrouracilDihydrouracilME530109-C00429-115.0447
DOPADOPAME530110-C00355-198.0771
DopamineDopamineME530111-C03758-154.0871
EctoineEctoineME530112-C06231-143.0822
EpinephrineEpinephrineME530113-C00788-184.0979
Ethanolamine phosphatePhosphoethanolamineME530114-C00346-140.0132
GABAgamma-Aminobutyric acidME530115-C00334-104.0711
gamma-Butyrobetaine3-DehydroxycarnitineME530116-C01181-146.1177
gamma-Glu-2ABgamma-Glutamyl-2-aminobutanoateME530117---233.1139
gamma-Glu-cysgamma-GlutamylcysteineME530118-C00669-251.0705
gamma-Guanidinobutyrate4-Guanidinobutanoic acidME530119-C01035-146.0929
GlnGlutamineME530120-C00064-147.0765
GluGlutamic acidME530121-C00025-148.0607
GlucosaminateGlucosaminic acidME530122-C03752-196.0824
GlucosamineGlucosamineME530123-C00329-180.0873
Glu-GluGlu-GluME530124-C01425-277.1042
Glutathione(ox)Oxidized glutathioneME530125-C00127-307.0844
Glutathione(red)GlutathioneME530126-C00051-308.0919
GlyGlycineME530127-C00037-76.0403
Glycerophosphorylcholinesn-Glycero-3-phosphocholineME530128-C00670-258.1109
Gly-GlyGly-GlyME530129-C02037-133.0614
Gly-LeuGly-LeuME530130-C02155-189.1241
Gramine-ME530131-C08304-175.1234
GuanidinoacetateGuanidoacetic acidME530132-C00581-118.0612
GuanidinosuccinateGuanidinosuccinic acidME530133-C03139-176.0672
GuanineGuanineME530134-C00242-152.0574
GuanosineGuanosineME530135-C00387-284.1002
HarmanHarmanME530136-C09209-183.0922
HexylamineHexylamineME530137-C08306-102.1281
HisHistidineME530138-C00135-156.0773
HistamineHistamineME530139-C00388-112.0865
HistidinolL-HistidinolME530140-C00860-142.0980
HomocarnosineHomocarnosineME530141-C00884-121.0685
HomocysteineHomocysteineME530142-C00155-136.0431
HomocystineHomocystineME530143-C01817-269.0630
HomoserineHomoserineME530144-C00263-120.0661
HydroxyprolineHydroxyprolineME530145-C01015-132.0656
HydroxyureaHydroxyureaME530146-C07044-77.0355
HypotaurineHypotaurineME530147-C00519-110.0274
HypoxanthineHypoxanthineME530148-C00262-137.0460
Ibotenate-ME530149-C10600-159.0403
IleIsoleucineME530150-C00407-132.1023
Imidazole-4-acetateImidazoleacetic acidME530151-C02835-127.0505
Indole-3-acetaldehydeIndoleacetaldehydeME530152-C00637-160.0710
Indole-3-acetamide1H-Indole-3-acetamideME530153-C02693-175.0875
Indole-3-acetateIndoleacetic acidME530154-C00954-176.0699
Indole-3-ethanolTryptophanolME530155-C00955-162.0924
InosineInosineME530156-C00294-269.0888
Isoamylamine3-Methyl-1-butylamineME530157-C02640-88.1124
Isobutylamine-ME530158-C02787-74.0974
Isonicotinamide-ME530159-C02421-123.0552
IsopropanolamineIsopropanolamineME530160-C05771-76.0768
KynurenineKynurenineME530161-C00328-209.0932
LeuLeucineME530162-C00123-132.1023
Leu-Leu-TyrLeu-Leu-TyrME530163-C11331-408.2508
LysLysineME530164-C00047-147.1130
LysinamideLysinamideME530165-C01930-146.1297
Mannosamine2-Amino-2-deoxy-D-mannoseME530166-C03570-180.0868
MelamineMelamineME530167-C08737-127.0726
MelatoninMelatoninME530168-C01598-233.1293
MetMethionineME530169-C00073-150.0585
MetforminMetforminME530170-C07151-130.1092
Methionine sulfoxideMethionine sulfoxideME530171-C02989-166.0531
Methionine sulfoximineMethionine sulfoximineME530172-C03510-181.0642
MethylguanidineMethylguanidineME530173-C02294-74.0720
MuramateMuramic acidME530174-C06470-252.1083
MuscimolMuscimolME530175-C08311-115.0509
N1-AcetylspermidineN1-AcetylspermidineME530179-C00612-188.1763
N1-AcetylspermineN1-AcetylspermineME530180-C02567-123.1208
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME530177-C03413-144.1256
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME530178---230.1872
N6-Methyl-2'-deoxyadenosineN6-Methyl-2'-deoxyadenosineME530182-C03795-266.1260
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME530181-C03793-189.1549
N8-AcetylspermidineN8-AcetylspermidineME530183-C01029-188.1761
N-AcetylglucosamineN-Acetyl-D-glucosamineME530184-C00140-222.0983
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME530185-C01239-221.1136
N-AcetylhistidineN-AcetylhistidineME530186-C02997-198.0881
N-AcetylornithineN-AcetylornithineME530187-C00437-175.1083
N-AcetylputrescineN-AcetylputrescineME530188-C02714-131.1183
N-AcetylvalineN-AcetylvalineME530189---160.0976
N-alpha-Benzenolarginine ethylesterBz-Arg-OEtME530191-C01670-307.1769
N-alpha,N-alpha-DimethylhistidineN,N-DimethylhistidineME530190-C04259-184.1085
n-Butyl a-Picolinate-ME530192---180.1026
N-epsilon-AcetyllysineN6-AcetyllysineME530193-C02727-189.1239
N-gamma-EthylglutamineN(5)-Ethyl-glutamineME530194-C01047-175.1081
NicotinamideNiacinamideME530195-C00153-123.0556
NicotineNicotineME530196-C00745-163.1231
N-MethylalanineN-MethylalanineME530197-C02721-104.0713
N-MethylanilineN-MethylanilineME530198-C02299-108.0813
N-MethylglutamateN-Methyl-glutamic acidME530199-C01046-162.0765
NMNNicotinamide ribotideME530200-C00455-335.0644
N,N-DimethylglycineDimethylglycineME530176-C01026-104.0714
N-omega-MethyltryptamineN-MethyltryptamineME530201-C06213-175.1236
NoradrenalineXi-NorepinephrineME530202-C00547-170.0818
NornicotineNornicotineME530203-C06524-149.1074
o-AcetylcarnitineCAR 2:0ME530204-C02571-204.1237
O-AcetylserineO-AcetylserineME530205-C00979-148.0606
OctopineOctopineME530206-C04137-247.1412
OctylamineOctylamineME530207-C01740-130.1596
OphthalmateOphthalmic acidME530208---290.1355
OrnithineOrnithineME530209-C00077-133.0975
o-Succinylhomoserineo-SuccinylhomoserineME530210-C01118-220.0823
p-Aminobenzoatep-Aminobenzoic acidME530211-C00568-138.0551
PhePhenylalanineME530212-C00079-166.0869
PhenethylaminePhenylethylamineME530213-C05332-122.0968
Phenylethanolamine2-HydroxyphenethylamineME530214-C02735-138.0918
Phe-PhePhe-PheME530215---313.1555
PhosphorylcholineCholine phosphateME530216-C00588-184.0743
PicolinamidePicolinamideME530217-C01950-123.0556
PipecolatePipecolic acidME530218-C00408-130.0865
ProProlineME530219-C00148-116.0711
Proline betaineProline betaineME530220-C10172-144.1024
Pseudopelletierinepsi-PelletierineME530221-C10865-154.1233
PterinPterinME530222-C00715-164.0570
PurinePurineME530223-C15587-121.0520
Purine ribosideNebularineME530224-C01736-253.0942
Putrescine(1,4-Butanediamine)PutrescineME530225-C00134-89.1082
Pyrazole1H-pyrazoleME530226-C00481-69.0464
PyridoxalPyridoxalME530227-C00250-168.0662
PyridoxaminePyridoxamineME530228-C00534-169.0974
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME530229-C00647-249.0638
PyridoxinePyridoxineME530230-C00314-170.0818
RiboflavinRiboflavinME530231-C00255-377.1465
SaccharopineSaccharopineME530232-C00449-277.1398
SAHS-AdenosylhomocysteineME530233-C00021-193.0689
SAM+S-AdenosylmethionineME530234-C00019-200.0764
SarcosineSarcosineME530235-C00213-90.0554
SDMASymmetric dimethylarginineME530236---203.1508
SepiapterinSepiapterinME530237-C00835-238.0944
SerSerineME530238-C00065-106.0503
SerotoninSerotoninME530239-C00780-177.1031
S-LactoylglutathioneS-LactoylglutathioneME530240-C03451-380.1135
S-MethylmethionineS-MethylmethionineME530241-C03172-164.0747
SpermidineSpermidineME530242-C00315-146.1657
SpermineSpermineME530243-C00750-102.1153
SynephrineSynephrineME530244-C04548-168.1025
TaurineTaurineME530245-C00245-126.0224
TaurocyamineTaurocyamineME530246-C01959-168.0432
TetrahydropalmatineTetrahydropalmatineME530247-C02890-356.1869
ThiamineThiamineME530248-C00378-265.1125
Thiamine monophosphateThiamine monophosphateME530249-C01081-345.0786
ThrThreonineME530250-C00188-120.0659
ThymidineThymidineME530251-C00214-243.0983
ThymineThymineME530252-C00178-127.0511
trans-Zeatintrans-ZeatinME530253-C00371-220.1200
TRHThyrotropin releasing hormoneME530254-C03958-363.1785
TrientineTrientineME530255-C07166-147.1610
TrigonellineTrigonellineME530256-C01004-138.0551
TrimethylamineTrimethylamineME530257-C00565-60.0817
Trimethylamine N-oxideTrimethylamine N-oxideME530258-C01104-76.0768
TrimethylsulfoniumTrimethyl sulfoniumME530259-C01008-77.0428
TropinePseudotropineME530260-C00729-142.1233
TropinoneTropinoneME530261-C00783-140.1072
TrpTryptophanME530262-C00078-205.0977
TryptamineTryptamineME530263-C00398-161.1082
TyrTyrosineME530264-C00082-182.0822
TyramineTyramineME530265-C00483-138.0917
UracilUracilME530266-C00106-113.0346
UreaUreaME530267-C00086-61.0403
UridineUridineME530268-C00299-245.0781
UrocanateUrocanic acidME530269-C00785-139.0505
ValValineME530270-C00183-118.0868
XanthineXanthineME530271-C00385-153.0413
XanthopterinXanthopterinME530272---180.0515
XanthosineXanthosineME530273-C01762-285.0819


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 acidME530563-C02774-187.1361
1-Aminoethylphosphonate-ME530513-C03782-124.0182
2',3'-cCMP2',3' cyclic CMPME530514-C02354-304.0369
2,3-DPG2,3-Diphosphoglyceric acidME530515-C01159-264.9544
2,3-PyridinedicarboxylateQuinolinic acidME530516-C03722-166.0166
2,4-Dihydroxypyrimidine-5-carboxylateUracil-5-carboxylic acidME530517-C03030-155.0113
2,5-DihydroxybenzoateGentisic acidME530518-C00628-153.0198
2-Amino-3-phosphonopropionate-ME530519-C05672-168.0083
2-AminoethylphosphonateCiliatineME530520-C03557-124.0182
2-Deoxyglucose 6-phosphate2-Deoxy-D-glucose 6-phosphateME530521-C06369-243.0294
2-Deoxyribose 1-phosphateDeoxyribose 1-phosphateME530522-C00672-213.0192
2-Furoate2-Furoic acidME530523-C01546-111.0101
2-Hydroxy-4-methylpentanoateD-Leucic acidME530524-C03264-131.0730
2-Hydroxybutyrate2-Hydroxybutyric acidME530525-C05984-103.0418
2-Hydroxyglutarate2-Hydroxyglutaric acidME530526-C02630-147.0312
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME530527---103.0418
2-Hydroxyoctanoate2-Hydroxyoctanoic acidME530528---159.1043
2-Hydroxypentanoate2-Hydroxyvaleric acidME530529---117.0572
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME530530-C05852-151.0413
2-Isopropylmalate2-Isopropylmalic acidME530531-C02504-175.0630
2-OxoadipateOxoadipic acidME530532-C00322-159.0316
2-Oxobutyrate3-Methyl pyruvic acidME530533-C00109-101.0255
2-Oxoglutarate2-Oxoglutaric acidME530534-C00026-145.0149
2-OxoisopentanoateKetoisovaleric acidME530535-C00141-115.0417
2-Oxooctanoate-ME530536---157.0884
2PG2-Phosphoglyceric acidME530537-C00631-184.9881
2-QuinolinecarboxylateQuinaldic acidME530538-C06325-172.0424
2-Thiopheneacetate2-Thienylacetic acidME530539-C02595-141.0031
3-(2-Hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME530540-C01198-165.0576
3-(4-Hydroxyphenyl)propionateDesaminotyrosineME530541-C01744-165.0574
3',5'-Cyclic dAMP-ME530542-C00968-312.0531
3'-AMP3'-AMPME530543-C01367-346.0588
3-Hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME530544-C03761-161.0469
3-Hydroxybutyrate3-Hydroxybutyric acidME530545-C01089-103.0420
3-HydroxypropionateHydroxypropionic acidME530546-C01013-89.0257
3-Indolebutyrate3-Indolebutyric acidME530547-C11284-202.0893
3-Indoxyl sulfateIndoxyl sulfateME530548---212.0049
3PG3-Phosphoglyceric acidME530549-C00197-184.9881
3-PhenyllactatePhenyllactic acidME530550-C05607-165.0576
3-PhenylpropionateHydrocinnamic acidME530551-C05629-149.0625
3-UreidopropionateUreidopropionic acidME530552-C02642-131.0472
4-Acetylbutyrate5-Ketocaproic acidME530553-C02129-129.0570
4-Hydroxy-3-methoxymandelateVanillylmandelic acidME530554-C05584-197.0473
4-Hydroxymandelate4-Hydroxymandelic acidME530555-C11527-167.0375
4-Methyl-2-oxopentanoateKetoleucineME530556-C00233-129.0571
4-Methylthio-2-oxobutyrate2-Oxo-4-methylthiobutanoic acidME530557-C01180-147.0143
4-Oxohexanoate-ME530558---129.0570
4-OxopentanoateLevulinic acidME530559---115.0415
4-Pyridoxate4-Pyridoxic acidME530560-C00847-182.0478
6-Hydroxyhexanoate6-Hydroxycaproic acidME530561-C06103-131.0720
6-Phosphogluconate6-Phosphogluconic acidME530562-C00345-275.0186
Acetyl CoAAcetyl-CoAME530330-C00024-403.5590
Adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME530331-C00054-426.0248
Adenosine 5'-phosphosulfateAdenosine phosphosulfateME530332-C00224-426.0155
AdenylosuccinateAdenylsuccinic acidME530333-C03794-462.0702
AdipateAdipic acidME530334-C06104-145.0516
ADPADPME530335-C00008-426.0261
ADP-glucoseADP-glucoseME530336-C00498-588.0781
ADP-riboseADP-riboseME530337-C00301-558.0676
AllantoateAllantoic acidME530338-C00499-175.0491
AMPAMPME530339-C00020-346.0588
ATPATPME530340-C00002-505.9920
AzelateAzelaic acidME530341-C08261-187.0996
BarbiturateBarbituric acidME530342-C00813-127.0161
BenzoateBenzoic acidME530343-C00180-121.0311
BenzoylformatePhenylglyoxylic acidME530344-C02137-149.0254
Benzylsuccinate(R)-2-Benzylsuccinic acidME530345-C09816-207.0689
BiotinBiotinME530346-C00120-243.0832
ButyrateButyric acidME530347-C00246-87.0465
cAMP3',5' cyclic AMPME530348-C00575-328.0478
CarbamoylaspartateCarbamoylaspartateME530349-C00438-175.0374
CarbamoylphosphateCarbamoylphosphateME530350-C00169-139.9769
CDPCDPME530351-C00112-402.0153
CDP-cholineCDP-cholineME530352-C00307-547.1244
cGMP3',5' cyclic GMPME530353-C00942-344.0433
CholateCholic acidME530354-C00695-407.2830
cIMP-ME530355-C00943-329.0319
cis-Aconitatecis-Aconitic acidME530356-C00417-173.0112
CitraconateCitraconic acidME530357-C02226-129.0207
CitramalateCitramalic acidME530358-C02614-147.0309
CitrateCitric acidME530359-C00158-191.0225
CMPCMPME530360-C00055-322.0476
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME530361-C00128-613.1436
CoACoenzyme AME530362-C00010-382.5542
CrotonateCrotonic acidME530363-C01771-85.0310
CTPCTPME530364-C00063-481.9806
CysteateCysteic acidME530365-C00506-167.9988
Cysteine S-sulfateCysteine-S-sulfateME530366-C05824-199.9717
Cysteine sulfinate3-Sulfino-alanineME530367-C00606-152.0031
dADPdADPME530368-C00206-410.0304
dAMPdAMPME530369-C00360-330.0637
dATPdATPME530370-C00131-489.9965
DCADeoxycholic acidME530371-C04483-391.2877
dCDPdCDPME530372-C00705-386.0190
dCMPdCMPME530373-C00239-306.0526
dCTPdCTPME530374-C00458-465.9861
Deamido-NAD+Nicotinic acid adenine dinucleotideME530375-C00857-663.0891
DecanoateCapric acidME530376-C01571-171.1410
dGTPdGTPME530377-C00286-505.9918
DHAPDihydroxyacetone phosphateME530378-C00111-168.9933
DigalacturonateDigalacturonic acidME530379-C02273-369.0706
Dihydroorotate4,5-Dihydroorotic acidME530380-C00337-157.0269
dITPdITPME530381-C01345-490.9807
DodecanedioateDodecanedioic acidME530382-C02678-229.1475
DodecanoateLauric acidME530383-C02679-199.1723
dTDPdTDPME530384-C00363-401.0187
dTMPdTMPME530385-C00364-321.0522
dTTPdTTPME530386-C00459-480.9857
dUDPdUDPME530387-C01346-387.0036
dUMPdUMPME530388-C00365-307.0366
dUTPdUTPME530389-C00460-466.9695
F1,6PFructose 1,6-bisphosphateME530390-C00354-338.9910
F6PFructose 6-phosphateME530391-C00085-259.0249
FADFADME530392-C00016-784.1532
FolateFolic acidME530393-C00504-440.1352
FumarateFumaric acidME530394-C00122-115.0061
G1PGlucose 1-phosphateME530395-C00103-259.0248
G3PGlyceraldehyde 3-phosphateME530396-C00661-168.9927
G6PGlucose 6-phosphateME530397-C00092-259.0251
Galacturonate 1-phosphate-ME530398-C04037-273.0049
GDPGDPME530399-C00035-442.0206
GDP-mannoseGDP-mannoseME530400-C00096-604.0733
GluconateGluconic acidME530401-C00257-195.0533
Glucosamine 6-phosphateGlucosamine 6-phosphateME530402-C00352-258.0405
GlucuronateGlucuronic acidME530403-C00191-193.0370
GlutarateGlutaric acidME530404-C00489-131.0369
GlycerateGlyceric acidME530405-C00258-105.0207
Glycerophosphatesn-Glycero-3-phosphateME530406-C00093-171.0084
GlycocholateGlycocholic acidME530407-C01921-464.3056
GlycolateGlycolic acidME530408-C00160-75.0100
GlyoxylateGlyoxylic acidME530409-C00048-72.9939
GMPGMPME530410-C00144-362.0535
GTPGTPME530411-C00044-521.9862
HeptanoateHeptylic acidME530412-C17714-129.0931
HexanoateCaproic acidME530413-C01585-115.0777
HippurateHippuric acidME530414-C01586-178.0532
HomovanillateHomovanillic acidME530415-C05582-181.0517
IDPIDPME530416-C00104-427.0096
IMPIMPME530417-C00130-347.0431
IndolelactateIndolelactic acidME530418-C02043-204.0685
Isethionate2-HydroxyethanesulfonateME530419-C05123-124.9928
Isobutyryl CoAIsobutyryl-CoAME530420-C00630-417.5751
IsocitrateIsocitric acidME530421-C00311-191.0219
ItaconateItaconic acidME530422-C00490-129.0205
ITPITPME530423-C00081-506.9761
LactateLactic acidME530424-C00186-89.0270
MalateMalic acidME530425-C00711-133.0157
MalonateMalonic acidME530426-C00383-103.0051
Malonyl CoAMalonyl-CoAME530427-C00083-425.5544
MethanesulfonateMethanesulfonic acidME530428-C11145-94.9823
Methyl sulfateMethyl sulfateME530429-C02704-110.9771
(Methylthio)acetate(Methylthio)acetic acidME530430-C03173-105.0049
m-Hydroxybenzoate3-Hydroxybenzoic acidME530431-C00587-137.0261
MucateGalactaric acidME530432-C00879-209.0325
N-AcetylaspartateN-Acetylaspartic acidME530433-C01042-174.0430
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME530434-C01073-130.0526
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME530435-C04501-300.0516
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME530436-C00357-300.0518
N-AcetylglutamateN-Acetylglutamic acidME530437-C00624-188.0582
N-AcetylleucineN-AcetylleucineME530438-C02710-172.0993
N-AcetylmethionineN-AcetylmethionineME530439-C02712-190.0559
N-AcetylmuramateN-Acetylmuramic acidME530440-C02713-292.1063
N-AcetylneuraminateN-Acetylneuraminic acidME530441-C00270-308.1020
N-AcetylphenylalanineN-AcetylphenylalanineME530442-C03519-206.0840
NAD+NADME530443-C00003-662.1057
NADHNADHME530444-C00004-664.1199
NADP+NADPME530445-C00006-742.0724
NADPHNADPHME530446-C00005-371.5424
N-CarbamylglutamateCarglumic acidME530447-C05829-189.0541
N-FormylaspartateN-Formyl-aspartic acidME530448-C01044-160.0264
N-FormylmethionineN-FormylmethionineME530449-C03145-176.0408
NicotinateNicotinic acidME530450-C00253-122.0267
o-Coumaratetrans-o-Coumaric acidME530451-C01772-163.0419
OctanoateCaprylic acidME530452-C06423-143.1092
o-HydroxybenzoateSalicylic acidME530453-C00805-137.0266
o-HydroxyhippurateSalicyluric acidME530454-C07588-194.0483
O-PhosphoserinePhosphoserineME530455-C01005-184.0038
OrotateOrotic acidME530456-C00295-155.0120
Orotidine 5'-monophosphateOrotidylic acidME530457-C01103-367.0217
P1, P4-Di(adenosine-5') tetraphosphate-ME530458-C01260-417.0209
PantothenatePantothenic acidME530459-C00864-218.1057
p-Coumaratecis-p-Coumaric acidME530460-C00811-163.0426
PelargonatePelargonic acidME530461-C01601-157.1256
PEPPhosphoenolpyruvic acidME530462-C00074-166.9775
PhenaceturatePhenylacetylglycineME530463-C05598-192.0672
Phenyl phosphatePhenyl phosphateME530464-C02734-173.0027
PhenylpyruvatePhenylpyruvic acidME530465-C00166-163.0420
PhosphonoacetatePhosphonoacetateME530466-C05682-138.9812
PhthalatePhthalic acidME530467-C01606-165.0216
p-Hydroxybenzoate4-Hydroxybenzoic acidME530468-C00156-137.0255
p-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME530469-C00642-151.0413
PimelatePimelic acidME530470-C02656-159.0679
PorphobilinogenPorphobilinogenME530471-C00931-225.0904
PropionatePropionic acidME530472-C00163-73.0302
Prostaglandin E2PGE2ME530473-C00584-351.2193
Prostaglandin F2alphaPGF2alphaME530474-C00639-353.2368
PRPPPhosphoribosyl pyrophosphateME530475-C00119-388.9478
Pyrrole-2-carboxylatePyrrole-2-carboxylic acidME530476-C05942-110.0260
PyruvatePyruvic acidME530477-C00022-87.0102
QuinateQuinic acidME530478-C00296-191.0579
R5PRibose 5-phosphateME530479-C00117-229.0144
Ribulose 1,5-diphosphateRibulose 1,5-bisphosphateME530480-C01182-308.9808
Ru5PRibulose 5-phosphateME530481-C00199-229.0143
S7PSedoheptulose 7-phosphateME530482-C05382-289.0356
SaccharateGlucaric acidME530483-C00818-209.0330
SebacateSebacic acidME530484-C08277-201.1150
Serine O-sulfateSerine-O-sulfateME530485-C02703-183.9937
ShikimateShikimic acidME530486-C00493-173.0474
SinapateSinapic acidME530487-C00482-223.0638
Sorbitol 6-phosphatePseudouridineME530488-C01096-261.0403
SuccinateSuccinic acidME530489-C00042-117.0209
Succinyl CoASuccinyl-CoAME530490-C00091-432.5624
SyringateSyringic acidME530491-C10833-197.0470
TartrateTartaric acidME530492-C00898-149.0107
TaurocholateTaurocholic acidME530493-C05122-514.2886
TDP-glucosedTDP-glucoseME530494-C00842-563.0720
TerephthalateTerephthalic acidME530495-C06337-165.0216
threo-beta-methylaspartate-ME530564-C03618-146.0477
ThreonateThreonic acidME530496-C01620-135.0316
TiglateTiglic acidME530497-C08279-99.0461
trans-4-Hydroxy-3-methoxycinnamatetrans-Ferulic acidME530498-C01494-193.0524
trans-Aconitatetrans-Aconitic acidME530499-C02341-173.0109
trans-Cinnamatetrans-Cinnamic acidME530500-C00423-147.0466
Trehalose 6-phosphateTrehalose 6-phosphateME530501-C00689-421.0796
UDPUDPME530502-C00015-402.9983
UDP-glucoseUDP-glucoseME530503-C00029-565.0510
UDP-glucuronateUDP-glucuronic acidME530504-C00167-579.0303
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME530505-C00043-606.0779
UMPUMPME530506-C00105-323.0316
UndecanoateUndecylic acidME530507-C17715-185.1573
UrateUric acidME530508-C00366-167.0225
UTPUTPME530509-C00075-482.9646
XanthurenateXanthurenic acidME530510-C02470-204.0319
XMPXMPME530511-C00655-363.0378
XTPXanthosine 5-triphosphateME530512-C00700-522.9712


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