9-octadecynoyl-CoA

Chemical Formula:

C₃₉H₆₆N₇O₁₇P₃S

Molecular Weight:

1029.96400 Daltons

Monoisotopic Mass:

1029.34488 Daltons

SMILES:

CCCCCCCCC#CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

InChI:

1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/t28-,32-,33-,34+,38-/m1/s1

InChIKey:

NNLVYCRSYQYJOT-LFZQUHGESA-N

Synonyms

9-octadecynoyl-coenzyme A
Δ9-octadecynoyl-CoA
Δ9-octadecynoyl-coenzyme A
octadec-9-ynoyl-coenzyme A
octadec-9-ynoyl-CoA

Databases

ChEBI: 53151

PubChem (CID): 44224032