(5E)-3-oxo-dodec-5-enoyl-CoA

Chemical Formula:

C₃₃H₅₀N₇O₁₈P₃S

Molecular Weight:

957.775 Daltons

Monoisotopic Mass:

961.2458881875999 Daltons

SMILES:

CCCCCCC=CCC(=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/C33H54N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h9-10,19-20,22,26-28,32,44-45H,4-8,11-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b10-9+/t22-,26-,27-,28+,32-/m1/s1

InChIKey:

VKLHSLOWDWGVGP-WOABMHMMSA-J

Synonyms

(5E)-3-oxo-dodecenoyl-CoA
5-trans-3-oxo-dodecenoyl-CoA

Databases

MetaCyc: CPD-15691

PubChem (CID): 90658857

MetaNetX: MNXM722950