3-oxo-(11Z)-eicos-11-enoyl-CoA
Chemical Formula:
C41H66N7O18P3S
Molecular Weight:
1069.99 Daltons
Monoisotopic Mass:
1073.3710887012 Daltons
SMILES:
CCCCCCCCC=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/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h11-12,27-28,30,34-36,40,52-53H,4-10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b12-11-/t30-,34-,35-,36+,40-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14300
ChEBI:
74011
PubChem (CID):
71581100
Seed:
cpd24280
MetaNetX:
MNXM97663