3-oxo-(7Z)-tetradecenoyl-CoA

Chemical Formula:

C₃₅H₅₄N₇O₁₈P₃S

Molecular Weight:

985.829 Daltons

Monoisotopic Mass:

989.277188316 Daltons

SMILES:

CCCCCCC=CCCCC(=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/C35H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h9-10,21-22,24,28-30,34,46-47H,4-8,11-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b10-9-/t24-,28-,29-,30+,34-/m1/s1

InChIKey:

BEPLLRGJVXAEJI-TWAFKMGKSA-J

Synonyms

3-oxo-14:1-Δ7-CoA
3-oxo-7-cis-tetradecenoyl-CoA

Databases

MetaCyc: CPD-19157

PubChem (CID): 122706481

MetaNetX: MNXM164255