(9Z,11E)-tetradec-9,11-dienoyl-CoA

Chemical Formula:

C₃₅H₅₄N₇O₁₇P₃S

Molecular Weight:

969.83 Daltons

Monoisotopic Mass:

973.2822736939 Daltons

SMILES:

CCC=CC=CCCCCCCCC(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-])=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/h5-8,22-24,28-30,34,45-46H,4,9-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b6-5+,8-7-/t24-,28-,29-,30+,34-/m1/s1

InChIKey:

RMTCMUDBLNTPLD-YOAJCLNOSA-J

Synonyms

(Z,E)-tetradec-9,11-dienoyl-CoA

Databases

MetaCyc: CPD-17802

PubChem (CID): 91820285

MetaNetX: MNXM147642