(5Z)-dodecenoyl-CoA
Chemical Formula:
C33H52N7O17P3S
Molecular Weight:
943.792 Daltons
Monoisotopic Mass:
947.2666236297 Daltons
SMILES:
CCCCCCC=CCCCC(=O)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-]
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/h9-10,20-22,26-28,32,43-44H,4-8,11-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b10-9-/t22-,26-,27-,28+,32-/m1/s1
InChIKey:
Synonyms
- 12:1-Δ5-CoA
- cis-5-dodecenoyl-CoA
- 12:1(n-7)-CoA
- (5Z)-dodec-5-enoyl-CoA
Databases
MetaCyc:
CPD-19148
PubChem (CID):
122706514
MetaNetX:
MNXM163970