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vinylacetyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM2159

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	5

formula

C₂₅H₃₆N₇O₁₇P₃S

charge

-4

mass

831.11232

reference

chebi:57396

InChIKey

UATIGEHITDTAGF-CITAKDKDSA-J

InChI

InChI=1S/C25H40N7O17P3S/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/h4,12-14,18-20,24,35-36H,1,5-11H2,2-3H3,(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

C=CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57396 chebi:57396	vinylacetyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate) vinylacetyl-CoA(4-)
seed.compound:cpd01557 seedM:cpd01557	3-Butenoyl-CoA 3-butenoyl-CoA But-3-enoyl-CoA Vinylacetyl-CoA but-3-enoyl-CoA vinylacetyl-CoA
bigg.metabolite:vaccoa biggM:vaccoa	Vinylacetyl-CoA
sabiork.compound:2404 sabiorkM:2404	Vinylacetyl-CoA 3-Butenoyl-CoA
kegg.compound:C02331 keggC:C02331	Vinylacetyl-CoA 3-Butenoyl-CoA But-3-enoyl-CoA
CHEBI:15543 chebi:15543	vinylacetyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) 3-Butenoyl-CoA But-3-enoyl-CoA Vinylacetyl-CoA but-3-enoyl-CoA
lipidmaps:LMFA07050400 lipidmapsM:LMFA07050400	vinylacetyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) CoA 4:1 but-3-enoyl-CoA
metacyc.compound:CPD-226 metacycM:CPD-226	vinylacetyl-CoA 3-butenoyl-CoA but-3-enoyl-CoA
chebi:15311 chebi:27294 chebi:9991 biggM:M_vaccoa keggC:M_C02331 seedM:M_cpd01557	secondary/obsolete/fantasy identifier