4-trans-3-oxo-undecenoyl-CoA

Chemical Formula:

C₃₂H₄₈N₇O₁₈P₃S

Molecular Weight:

943.749 Daltons

Monoisotopic Mass:

947.2302381234 Daltons

SMILES:

CCCCCCC=CC(=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/C32H52N7O18P3S/c1-4-5-6-7-8-9-10-20(40)15-23(42)61-14-13-34-22(41)11-12-35-30(45)27(44)32(2,3)17-54-60(51,52)57-59(49,50)53-16-21-26(56-58(46,47)48)25(43)31(55-21)39-19-38-24-28(33)36-18-37-29(24)39/h9-10,18-19,21,25-27,31,43-44H,4-8,11-17H2,1-3H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/p-4/b10-9+/t21-,25-,26-,27+,31-/m1/s1

InChIKey:

XBFQFVLNMJDDNG-DUPKWVSKSA-J

Synonyms

4E-3-oxo-undecenoyl-CoA

Databases

MetaCyc: CPD-15678

PubChem (CID): 90658908

MetaNetX: MNXM147839