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Bovine Metabolome Database

Browsing metabolites

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BMDB ID Name Ascending
CAS Number
IUPAC Name Structure Formula
Average MassMono Mass
Biofluid Location
BMDB12111
MetaboCard button for BMDB12111
(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol
52340-78-0
Structure C14H14O2
214.260
214.099380
 
BMDB04487
MetaboCard button for BMDB04487
(+)-(S)-Carvone
2244-16-8
(5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-one Structure C10H14O
150.218
150.104462
 
BMDB06525
MetaboCard button for BMDB06525
(+)-a-Pinene
7785-70-8
(1S,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene Structure C10H16
136.234
136.125198
 
BMDB04321
MetaboCard button for BMDB04321
(+)-Limonene
5989-27-5
(4R)-1-methyl-4-prop-1-en-2-yl-cyclohexene Structure C10H16
136.234
136.125198
 
BMDB35658
MetaboCard button for BMDB35658
(-)-alpha-Pinene
7785-26-4
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene Structure C10H16
136.234
136.125201
 
BMDB03375
MetaboCard button for BMDB03375
(-)-Limonene
5989-54-8
(4S)-1-methyl-4-prop-1-en-2-yl-cyclohexene Structure C10H16
136.234
136.125198
 
BMDB01320
MetaboCard button for BMDB01320
(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid
22973-19-9
7-[3-hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoic acid Structure C20H32O5
352.465
352.224976
 
BMDB12112
MetaboCard button for BMDB12112
(22Alpha)-hydroxy-5alpha-campestan-3-one
Structure C28H48O2
416.680
416.365417
 
BMDB12113
MetaboCard button for BMDB12113
(22Alpha)-hydroxy-campest-4-en-3-one
Structure C28H46O2
414.664
414.349792
 
BMDB10361
MetaboCard button for BMDB10361
(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)
(2S,3S,4S,5R)-6-[(4S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-hydroxy-2-methyl-3-oxoheptan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Structure C33H50O10
606.744
606.340393
 
BMDB11643
MetaboCard button for BMDB11643
(24R)-Cholest-5-ene-3-beta,24-diol
Structure C27H46O2
402.653
402.349792
 
BMDB11644
MetaboCard button for BMDB11644
(24R)-Cholest-5-ene-3-beta,7-alpha,24-triol
Structure C27H46O3
418.652
418.344696
 
BMDB03948
MetaboCard button for BMDB03948
(2E)-Decenoyl-CoA
10018-95-8
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[(E)-dec-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid Structure C31H52N7O17P3S
919.768
919.235352
 
BMDB03712
MetaboCard button for BMDB03712
(2E)-Dodecenoyl-CoA
1066-12-2
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-dodec-2-enethioate Structure C33H52N7O17P3S
943.789
943.235352
 
BMDB03945
MetaboCard button for BMDB03945
(2E)-Hexadecenoyl-CoA
4460-95-1
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-hexadec-2-enethioate Structure C37H60N7O17P3S
999.895
999.297913
 
BMDB03949
MetaboCard button for BMDB03949
(2E)-Octenoyl-CoA
10018-94-7
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate Structure C29H48N7O17P3S
891.714
891.204041
 
BMDB03946
MetaboCard button for BMDB03946
(2E)-Tetradecenoyl-CoA
38795-33-4
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-tetradec-2-enethioate Structure C35H60N7O17P3S
975.874
975.297913
 
BMDB02429
MetaboCard button for BMDB02429
(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid
99794-82-8
(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl b-D-glucopyranosiduronic acid Structure C32H53NO11S
659.828
659.333923
 
BMDB02430
MetaboCard button for BMDB02430
(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid
58814-71-4
(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl b-D-glucopyranosiduronic acid Structure C30H48O10
568.696
568.324768
 
BMDB02472
MetaboCard button for BMDB02472
(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid
99794-78-2
(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl b-D-glucopyranosiduronic acid Structure C32H51NO12
641.747
641.341125
 
BMDB03112
MetaboCard button for BMDB03112
(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol
60497-65-6
Structure C40H56O2
568.871
568.428040
 
BMDB03240
MetaboCard button for BMDB03240
(3R,3'R,15-cis)-b,b-Carotene-3,3'-diol
60046-54-0
Structure C40H56O2
568.871
568.428040
 
BMDB03451
MetaboCard button for BMDB03451
(3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol
32449-88-0
Structure C40H56O2
568.871
568.428040
 
BMDB02950
MetaboCard button for BMDB02950
(3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol
79516-56-6
Structure C40H56O2
568.871
568.428040
 
BMDB02198
MetaboCard button for BMDB02198
(3R,3'R,6'R,9-cis)-Carotene-3,3'-diol
29414-89-9
Structure C40H56O2
568.871
568.428040
 
BMDB03146
MetaboCard button for BMDB03146
(3R,3'R,9-cis)-b,b-Carotene-3,3'-diol
60497-64-5
Structure C40H56O2
568.871
568.428040
 
BMDB03415
MetaboCard button for BMDB03415
(3R,3'S,6'R)-b,e-Carotene-3,3'-diol
52842-48-5
Structure C40H56O2
568.871
568.428040
 
BMDB12114
MetaboCard button for BMDB12114
(3S)-3,6-Diaminohexanoate
4299-56-3
3,6-diaminohexanoic acid Structure C6H14N2O2
146.188
146.105530
 
BMDB12115
MetaboCard button for BMDB12115
(3S,5S)-3,5-Diaminohexanoate
17027-83-7
3,5-diaminohexanoic acid Structure C6H14N2O2
146.188
146.105530
 
BMDB12116
MetaboCard button for BMDB12116
(5Alpha)-campestan-3-one
(5S,10S,13R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one Structure C28H48O
400.680
400.370514
 
BMDB00409
MetaboCard button for BMDB00409
(5R)-5-Hydroxyhexanoic acid
83972-61-6
(5R)-5-hydroxyhexanoic acid Structure C6H12O3
132.158
132.078644
 
BMDB03063
MetaboCard button for BMDB03063
(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene
72746-33-9
Structure C40H60
540.904
540.469482
 
BMDB06537
MetaboCard button for BMDB06537
(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine
Structure C26H45NO21
707.630
707.248413
 
BMDB02266
MetaboCard button for BMDB02266
(E)-2-Methylglutaconic acid
53358-21-7
2-methyl-2-pentenedioic acid Structure C6H8O4
144.125
144.042252
 
BMDB34729
MetaboCard button for BMDB34729
(E,E)-2,4-Hexadienal
(2Z,4E)-hexa-2,4-dienal Structure C6H8O
96.127
96.057515
 
BMDB12117
MetaboCard button for BMDB12117
(Glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol
Structure C162H270N2O72P2
3459.795
3457.700195
 
BMDB12118
MetaboCard button for BMDB12118
(Mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol
Structure C108H180N2O27P2
2000.530
1999.224854
 
BMDB12119
MetaboCard button for BMDB12119
(Mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol
Structure C114H190N2O32P2
2162.670
2161.277588
 
BMDB12120
MetaboCard button for BMDB12120
(Mannosyl)4-(N-acetylglucosaminyl)2-diphosphodolichol
Structure C120H200N2O37P2
2324.811
2323.330566
 
BMDB12121
MetaboCard button for BMDB12121
(Mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol
Structure C126H210N2O42P2
2486.951
2485.383301
 
BMDB12122
MetaboCard button for BMDB12122
(Mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol
[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaenoxy]-oxidophosphoryl] phosphate Structure C132H220N2O47P2
2649.092
2647.436279
 
BMDB12123
MetaboCard button for BMDB12123
(Mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol
[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaenoxy]-oxidophosphoryl] phosphate Structure C138H230N2O52P2
2811.232
2809.489014
 
BMDB12124
MetaboCard button for BMDB12124
(Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol
[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaenoxy]-oxidophosphoryl] phosphate Structure C144H240N2O57P2
2973.373
2971.541748
 
BMDB12125
MetaboCard button for BMDB12125
(Mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol
[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaenoxy]-oxidophosphoryl] phosphate Structure C150H250N2O62P2
3135.514
3133.594727
 
BMDB12126
MetaboCard button for BMDB12126
(N-Acetylglucosaminyl)2-diphosphodolichol
[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-[[(3S)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaenoxy]-dioxidophosphaniumyl]oxy-dioxidophosphanium Structure C96H160N2O17P2
1676.248
1675.119263
 
BMDB01081
MetaboCard button for BMDB01081
(N-acetylneuraminosyl(a2-6)lactosamine)
64364-50-7
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Structure C25H42N2O19
674.603
674.238159
  • Breast_Milk
BMDB12140
MetaboCard button for BMDB12140
(R) 2,3-Dihydroxy-3-methylvalerate
562-43-6
2,3-dihydroxy-3-methylpentanoic acid Structure C6H12O4
148.157
148.073563
 
BMDB12141
MetaboCard button for BMDB12141
(R)-2,3-Dihydroxy-isovalerate
(2R)-2,3-dihydroxy-3-methylbutanoic acid Structure C5H10O4
134.130
134.057907
 
BMDB12127
MetaboCard button for BMDB12127
(R)-2-Benzylsuccinate
(2R)-2-(phenylmethyl)butanedioic acid Structure C11H12O4
208.211
208.073563
 
BMDB02264
MetaboCard button for BMDB02264
(R)-2-Hydroxycaprylic acid
30117-44-3
(2R)-2-hydroxyoctanoic acid Structure C8H16O3
160.211
160.109940
 
BMDB10734
MetaboCard button for BMDB10734
(R)-3-Hydroxy-hexadecanoic acid
Structure C16H32O3
272.423
272.235138
 
BMDB10737
MetaboCard button for BMDB10737
(R)-3-Hydroxy-Octadecanoic acid
Structure C18H36O3
300.477
300.266449
 
BMDB10731
MetaboCard button for BMDB10731
(R)-3-Hydroxy-tetradecanoic acid
Structure C14H28O3
244.370
244.203842
 
BMDB00011
MetaboCard button for BMDB00011
(R)-3-Hydroxybutyric acid
625-72-9
(3R)-3-hydroxybutanoic acid Structure C4H8O3
104.104
104.047340
 
BMDB10725
MetaboCard button for BMDB10725
(R)-3-Hydroxydecanoic acid
Structure C10H20O3
188.264
188.141251
 
BMDB10728
MetaboCard button for BMDB10728
(R)-3-Hydroxydodecanoic acid
Structure C12H24O3
216.317
216.172546
 
BMDB10718
MetaboCard button for BMDB10718
(R)-3-Hydroxyhexanoic acid
Structure C6H12O3
132.158
132.078644
 
BMDB00336
MetaboCard button for BMDB00336
(R)-3-Hydroxyisobutyric acid
1910-47-0
(2R)-3-hydroxy-2-methyl-Propanoic acid Structure C4H8O3
104.104
104.047340
 
BMDB10722
MetaboCard button for BMDB10722
(R)-3-Hydroxyoctanoic acid
Structure C8H16O3
160.211
160.109940
 
BMDB12128
MetaboCard button for BMDB12128
(R)-Amphetamine
156-34-3
(2R)-1-phenylpropan-2-amine Structure C9H13N
135.206
135.104797
 
BMDB02299
MetaboCard button for BMDB02299
(R)-b-aminoisobutyric acid
2140-95-6
Structure C4H9NO2
103.120
103.063332
 
BMDB12129
MetaboCard button for BMDB12129
(R)-Benzylsuccinyl-CoA
(3R)-4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-benzyl-4-oxobutanoate Structure C32H46N7O19P3S
957.729
957.178223
 
BMDB01981
MetaboCard button for BMDB01981
(R)-Mevalonic acid-5-pyrophosphate
1492-08-6
(3R)-3-hydroxy-5-(hydroxy(phosphonooxy)phosphoryloxy)-3-methylpentanoic acid Structure C6H14O10P2
308.117
308.006226
 
BMDB03626
MetaboCard button for BMDB03626
(R)-N-Methylsalsolinol
53622-84-7
1,2-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol Structure C11H15NO2
193.242
193.110275
 
BMDB05199
MetaboCard button for BMDB05199
(R)-Salsolinol
525-72-4
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol Structure C10H13NO2
179.216
179.094635
 
BMDB12130
MetaboCard button for BMDB12130
(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate
Structure C6H9NO2
127.141
127.063332
 
BMDB01188
MetaboCard button for BMDB01188
(S)-2,3-Epoxysqualene
9029-62-3
2,2-dimethyl-3-(3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)oxirane Structure C30H50O
426.717
426.386169
 
BMDB06900
MetaboCard button for BMDB06900
(S)-2-Aceto-2-hydroxybutanoic acid
(2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid Structure C6H10O4
146.141
146.057907
 
BMDB06855
MetaboCard button for BMDB06855
(S)-2-Acetolactate
Structure C5H8O4
132.115
132.042252
 
BMDB31527
MetaboCard button for BMDB31527
(S)-2-Methyl-1-butanol
1565-80-6
2-methylbutan-1-ol Structure C5H12O
88.148
88.088815
 
BMDB00337
MetaboCard button for BMDB00337
(S)-3,4-Dihydroxybutyric acid
51267-44-8
3,4-dihydroxybutanoic acid Structure C4H8O4
120.104
120.042259
 
BMDB06921
MetaboCard button for BMDB06921
(S)-3-Hydroxy-N-methylcoclaurine
4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3, 4-dihydro-1H-isoquinolin-1-yl]methyl]benzene-1,2-diol Structure C18H21NO4
315.364
315.147064
 
BMDB00442
MetaboCard button for BMDB00442
(S)-3-Hydroxybutyric acid
6168-83-8
(3S)-3-hydroxybutanoic acid Structure C4H8O3
104.104
104.047340
 
BMDB03936
MetaboCard button for BMDB03936
(S)-3-Hydroxydodecanoyl-CoA
72059-49-5
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[(3S)-3-hydroxydodecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid Structure C33H58N7O18P3S
965.836
965.277161
 
BMDB03932
MetaboCard button for BMDB03932
(S)-3-Hydroxyhexadecanoyl-CoA
35106-50-4
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyhexadecanethioate Structure C37H66N7O18P3S
1021.942
1021.339783
 
BMDB00023
MetaboCard button for BMDB00023
(S)-3-Hydroxyisobutyric acid
2068-83-9
3-hydroxy-2-methylpropanoic acid Structure C4H8O3
104.104
104.047340
 
BMDB01052
MetaboCard button for BMDB01052
(S)-3-Hydroxyisobutyryl-CoA
319440-43-2
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-2-methylpropanethioate Structure C25H42N7O18P3S
853.623
853.151978
 
BMDB03934
MetaboCard button for BMDB03934
(S)-3-Hydroxytetradecanoyl-CoA
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-[(3S)-3-hydroxytetradecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid Structure C35H62N7O18P3S
993.889
993.308472
 
BMDB12131
MetaboCard button for BMDB12131
(S)-5-Amino-3-oxohexanoate
19355-90-9
5-amino-3-oxohexanoic acid Structure C6H11NO3
145.156
145.073898
 
BMDB02166
MetaboCard button for BMDB02166
(S)-b-aminoisobutyric acid
4249-19-8
(2S)-3-amino-2-methylpropanoic acid Structure C4H9NO2
103.120
103.063332
 
BMDB05009
MetaboCard button for BMDB05009
(S)-Esomeprazole
119141-88-7
(5-methoxy-1H-benzimidazol-2-yl)[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfoniumolate Structure C17H19N3O3S
345.416
345.114716
 
BMDB03938
MetaboCard button for BMDB03938
(S)-Hydroxydecanoyl-CoA
6245-70-1
S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxydecanethioate Structure C31H54N7O18P3S
937.783
937.245911
 
BMDB03942
MetaboCard button for BMDB03942
(S)-Hydroxyhexanoyl-CoA
74875-70-0
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyhexanethioate Structure C27H46N7O18P3S
881.677
881.183289
 
BMDB03940
MetaboCard button for BMDB03940
(S)-Hydroxyoctanoyl-CoA
79171-48-5
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxyoctanethioate Structure C29H50N7O18P3S
909.730
909.214600
 
BMDB02217
MetaboCard button for BMDB02217
(S)-Methylmalonic acid semialdehyde
99043-16-0
(2S)-2-methyl-3-oxopropanoic acid Structure C4H6O3
102.089
102.031693
 
BMDB03892
MetaboCard button for BMDB03892
(S)-N-Methylsalsolinol
53622-85-8
(1S)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol Structure C11H15NO2
193.242
193.110275
 
BMDB06213
MetaboCard button for BMDB06213
(S)-Propane-1,2-diol
4254-15-3
(2S)-propane-1,2-diol Structure C3H8O2
76.094
76.052429
 
BMDB03601
MetaboCard button for BMDB03601
(S)-Reticuline
485-19-8
(1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol Structure C19H23NO4
329.390
329.162720
 
BMDB01177
MetaboCard button for BMDB01177
(S)-Succinyldihydrolipoamide
Not Available
3-[(3R)-7-carbamoyl-1-sulfanyl-heptan-3-yl]sulfanylcarbonylpropanoic acid Structure C12H21NO4S2
307.429
307.091187
 
BMDB01005
MetaboCard button for BMDB01005
(S)-Ureidoglycolic acid
7424-03-5
(2S)-(carbamoylamino)(hydroxy)acetic acid Structure C3H6N2O4
134.091
134.032761
 
BMDB33908
MetaboCard button for BMDB33908
()-2-Heptanol
52390-72-4
heptan-2-ol Structure C7H16O
116.201
116.120115
 
BMDB31526
MetaboCard button for BMDB31526
()-2-Methylbutanal
57456-98-1
2-methylbutanal Structure C5H10O
86.132
86.073165
 
BMDB02327
MetaboCard button for BMDB02327
1,11-Undecanedicarboxylic acid
505-52-2
tridecanedioic acid Structure C13H24O4
244.327
244.167465
 
BMDB12133
MetaboCard button for BMDB12133
1,2-Benzoquinone
583-63-1
cyclohexa-3,5-diene-1,2-dione Structure C6H4O2
108.095
108.021126
 
BMDB11127
MetaboCard button for BMDB11127
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(Galactosyl-alpha-1-6-Galactosyl-beta-1)-glycerol
[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Structure C51H84O15
937.204
936.580994
 
BMDB12134
MetaboCard button for BMDB12134
1,2-Dihydroxy-3-keto-5-methylthiopentene
746507-19-7
(Z)-1,2-dihydroxy-5-methylsulfanylpent-1-en-3-one Structure C6H10O3S
162.207
162.035065
 
BMDB11132
MetaboCard button for BMDB11132
1,2-Dioctadecanoyl-3-(galactosyl-B-1-6-galactosyl-B-1)-glycerol
[1-(octadecanoyloxymethyl)-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-ethyl] octadecanoate Structure C51H96O15
949.299
948.674927
 
BMDB00969
MetaboCard button for BMDB00969
1,25-Dihydroxyvitamin D3-26,23-lactone
81203-50-1
(3R,5S)-5-[(2R)-2-[(1R,3aR,4E,7aR)-4-[(2Z)-2-[(3S,5S)-3,5-dihydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyl-oxolan-2-one Structure C27H40O5
444.603
444.287567
 
BMDB00371
MetaboCard button for BMDB00371
1,3,12-Trihydroxycholan-24-oic acid
63266-91-1
(5b)-1,3,12-trihydroxy-Cholan-24-oic acid Structure C24H40O5
408.571
408.287567
 
BMDB00433
MetaboCard button for BMDB00433
1,3,7,12-Tetrahydroxycholan-24-oic acid
63266-89-7
4-(1,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid Structure C24H40O6
424.571
424.282501
 
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