5-cis, 7-trans-3-oxo-tetradecadienoyl-CoA

5-<i>cis</i>, 7-<i>trans</i>-3-oxo-tetradecadienoyl-CoA




Chemical Formula:
C35H52N7O18P3S
Molecular Weight:
983.813 Daltons
Monoisotopic Mass:
987.2615382518001 Daltons
SMILES:
CCCCCCC=CC=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/C35H56N7O18P3S/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/h9-12,21-22,24,28-30,34,46-47H,4-8,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b10-9+,12-11-/t24-,28-,29-,30+,34-/m1/s1
InChIKey:
NJXBFCFHVUIEMZ-QTJPLKLFSA-J

Synonyms
  • 5Z, 7E-3-oxo-tetradecadienoyl-CoA

Databases
MetaCyc:  CPD-15687
PubChem (CID):  90657719
MetaNetX:  MNXM147848