10-trans-heptadecenoyl-CoA

Chemical Formula:

C₃₈H₆₂N₇O₁₇P₃S

Molecular Weight:

1013.926 Daltons

Monoisotopic Mass:

1017.3448739507 Daltons

SMILES:

CCCCCCC=CCCCCCCCCC(=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/C38H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h9-10,25-27,31-33,37,48-49H,4-8,11-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b10-9+/t27-,31-,32-,33+,37-/m1/s1

InChIKey:

KFMWWNZRDBMYES-HEVZYKJKSA-J

Synonyms

10E-heptadecenoyl-CoA

Databases

MetaCyc: CPD-15650

PubChem (CID): 90657576

MetaNetX: MNXM148603