(2E,5Z)-dodecenoyl-CoA

Chemical Formula:

C₃₃H₅₀N₇O₁₇P₃S

Molecular Weight:

941.776 Daltons

Monoisotopic Mass:

945.2509735655 Daltons

SMILES:

CCCCCCC=CCC=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/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,12-13,20-22,26-28,32,43-44H,4-8,11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b10-9-,13-12+/t22-,26-,27-,28+,32-/m1/s1

InChIKey:

ZSJRXHRCABOSNC-SHJPOGNXSA-J

Synonyms

12:2-Δ2,Δ5-CoA
2-trans,5-cis-dodecenoyl-CoA

Databases

MetaCyc: CPD-19150

PubChem (CID): 122706573

MetaNetX: MNXM163953