3-oxo-(11Z)-octadecenoyl-CoA
Chemical Formula:
C39H62N7O18P3S
Molecular Weight:
1041.936 Daltons
Monoisotopic Mass:
1045.3397885728 Daltons
SMILES:
CCCCCCC=CCCCCCCCC(=O)CC(=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/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h9-10,25-26,28,32-34,38,50-51H,4-8,11-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b10-9-/t28-,32-,33-,34+,38-/m1/s1
InChIKey:
Synonyms
- 3-oxo-18:1-Δ11-CoA
- 3-oxo-11-cis-octadecenoyl-CoA
Databases
MetaCyc:
CPD-19160
ChEBI:
76555
PubChem (CID):
72551571
HMDB:
HMDB62361
MetaNetX:
MNXM146084