(3Z)-dodec-3-enoyl-CoA

Chemical Formula:

C₃₃H₅₂N₇O₁₇P₃S

Molecular Weight:

943.792 Daltons

Monoisotopic Mass:

947.2666236297 Daltons

SMILES:

CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O

InChI:

1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h11-12,20-22,26-28,32,43-44H,4-10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b12-11-

InChIKey:

XEMIVMKTVGRFTD-QXMHVHEDSA-J

Synonyms

12:1(n-9)
12:1 cis-3
cis-3-dodecenoyl-CoA
3-cis-dodecenoyl-CoA
(3Z)-dodecenoyl-CoA

Databases

MetaCyc: CPD-7221

ChEBI: 27989 58543

PubChem (CID): 90659197 45266682

HMDB: HMDB04257

KEGG: C02944

Seed: cpd01887

MetaNetX: MNXM3949