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butanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1104300Image of MNXM1104300
#reac
in my sandbox 0
in MNXref (generic)102
in models (compartimentalized) 58
formulaC25H38N7O17P3S
charge-4
mass833.59
referencechebi:57371
InChIKeyCRFNGMNYKDXRTN-CITAKDKDSA-J
InChIInChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,18-,19-,20+,24-/m1/s1
SMILES[CH3:1][CH2:4][CH2:5][C:16](=[O:34])[S:53][CH2:9][CH2:8][N:27]=[C:15]([CH2:6][CH2:7][N:28]=[C:23]([C@@H:20]([C:25]([CH3:2])([CH3:3])[CH2:11][O:46][P:52]([OH:43])(=[O:44])[O:49][P:51]([OH:41])(=[O:42])[O:45][CH2:10][C@@H:14]1[C@@H:19]([O:48][P:50]([OH:38])([OH:39])=[O:40])[C@@H:18]([OH:35])[C@H:24]([n:32]2[cH:13][n:31][c:17]3[c:21]([NH2:26])[n:29][cH:12][n:30][c:22]32)[O:47]1)[OH:36])[OH:37])[OH:33]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57371
chebi:57371 		butanoyl-CoA
3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)
butanoyl-coenzyme A(4-)
butyryl-CoA(4-)
butyryl-coenzyme A tetraanion
butyryl-coenzyme A(4-)
bigg.metabolite:btcoa
biggM:btcoa 		Butanoyl-CoA
kegg.compound:C00136
keggC:C00136 		Butanoyl-CoA
Butyryl-CoA
sabiork.compound:1942
sabiorkM:1942 		Butanoyl-CoA
Butyryl-CoA
N-Butyryl-CoA
vmhM:btcoa
vmhmetabolite:btcoa 		Butanoyl-CoA
{[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(butanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]
envipath:...076df362da44
envipathM:...076df362da44 		Butyryl-CoA
lipidmaps:LMFA07050292
lipidmapsM:LMFA07050292 		Butyryl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
4:0-CoA
Butyryl-CoA
Butyryl-coa
Butyryl-coenzyme A
C4:0-CoA
CoA 4:0
Coenzyme A, S-butanoate
S-Butyryl-coenzym-A
S-butanoyl-CoA
S-butanoyl-coenzyme A
S-butyryl-CoA
S-butyryl-coenzyme A
butanoyl-CoA
butanoyl-coenzyme A
hmdb:HMDB0001088 Butyryl-CoA
Butanoyl-CoA
Butanoyl-coenzyme A
Butyryl-coenzyme A
butyryl-coa
{[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(butanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
seed.compound:cpd00120
seedM:cpd00120 		Butyryl-CoA
Butanoyl-CoA
Coenzyme A, S-butanoate
btcoa
butanoyl-CoA
butyryl-CoA
butyryl-coenzyme A
SLM:000001035
slm:000001035 		butanoyl-CoA
hmdb:HMDB0304279 butanoyl-CoA
(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-(2-{[2-(butanoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid
(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-N-(2-{[2-(butanoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid
4:0-CoA
Butanoyl-CoA
Butanoyl-coenzyme A
Butyryl-CoA
Butyryl-coenzyme A
C4:0-CoA
S-Butanoyl-CoA
S-Butanoyl-coenzyme A
S-Butyryl-CoA
S-Butyryl-coenzym-a
S-Butyryl-coenzyme A
coenzyme A, S-Butanoate
coenzyme A, S-Butanoic acid
metacyc.compound:BUTYRYL-COA
metacycM:BUTYRYL-COA 		butanoyl-CoA
ButCoA
Coenzyme A, S-butanoate
butyryl-CoA
butyryl-coenzyme A
reactome:R-ALL-77318
reactomeM:R-ALL-77318
CHEBI:15517
chebi:15517 		butyryl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
4:0-CoA
Butanoyl-CoA
Butyryl-CoA
Butyryl-coa
Butyryl-coenzyme A
C4:0-CoA
Coenzyme A, S-butanoate
S-Butyryl-coenzym-A
S-butanoyl-CoA
S-butanoyl-coenzyme A
S-butyryl-CoA
S-butyryl-coenzyme A
butanoyl-CoA
butanoyl-coenzyme A
envipath:...6cc8e063c198
envipathM:...6cc8e063c198 		compound 0056154
hmdb:HMDB01088
chebi:13926
chebi:22953
chebi:22973
chebi:3235
biggM:M_btcoa
keggC:M_C00136
seedM:M_cpd00120 		secondary/obsolete/fantasy identifier