(9Z,12Z,15Z)-hexadeca-9,12,15-trienoyl-CoA

Chemical Formula:

C₃₇H₅₆N₇O₁₇P₃S

Molecular Weight:

995.867 Daltons

Monoisotopic Mass:

999.2979237581001 Daltons

SMILES:

C=CCC=CCC=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/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h4,6-7,9-10,24-26,30-32,36,47-48H,1,5,8,11-23H2,2-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b7-6-,10-9-/t26-,30-,31-,32+,36-/m1/s1

InChIKey:

JDKLSTJMXDRYAJ-PCRJDALTSA-J

Synonyms

9Z,12Z,15Z-hexadecatrienoyl-CoA
16:3-delta9,12,15-CoA
9,12,15-cis-hexadecatrienoyl-CoA

Databases

MetaCyc: CPD-10255

ChEBI: 85914

PubChem (CID): 46173188

Seed: cpd22616

MetaNetX: MNXM10466