5-cis, 7-trans-tetradecadienoyl-CoA

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




Chemical Formula:
C35H54N7O17P3S
Molecular Weight:
969.83 Daltons
Monoisotopic Mass:
973.2822736939 Daltons
SMILES:
CCCCCCC=CC=CCCCC(=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/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h9-12,22-24,28-30,34,45-46H,4-8,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b10-9+,12-11-/t24-,28-,29-,30+,34-/m1/s1
InChIKey:
AMANZGDVBADZLH-QTJPLKLFSA-J

Synonyms
  • 5Z, 7E-tetradecadienoyl-CoA

Databases
MetaCyc:  CPD-15684
PubChem (CID):  90659270
MetaNetX:  MNXM147849