vinylacetyl-CoA

Chemical Formula:

C₂₅H₃₆N₇O₁₇P₃S

Molecular Weight:

831.577 Daltons

Monoisotopic Mass:

835.1414231161 Daltons

SMILES:

C=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O

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

InChIKey:

UATIGEHITDTAGF-CITAKDKDSA-J

Synonyms

3-butenoyl-CoA
but-3-enoyl-CoA

Databases

MetaCyc: CPD-226

RefMet: Vinylacetyl-CoA

ChEBI: 57396

PubChem (CID): 45266616 11966119

KEGG: C02331

Seed: cpd01557

MetaNetX: MNXM2159