hexadeca-4,7,10,13-tetraene-1-oyl-CoA

Chemical Formula:

C₃₇H₅₄N₇O₁₇P₃S

Molecular Weight:

993.852 Daltons

Monoisotopic Mass:

997.2822736939 Daltons

SMILES:

CCC=CCC=CCC=CCC=CCCC(=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/C37H58N7O17P3S/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/h5-6,8-9,11-12,14-15,24-26,30-32,36,47-48H,4,7,10,13,16-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b6-5-,9-8-,12-11-,15-14-/t26-,30-,31-,32+,36-/m1/s1

InChIKey:

JTUHLFLWSYGZLP-WADDQEABSA-J

Synonyms

(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraene-1-oyl-CoA

Databases

MetaCyc: CPD-14239

PubChem (CID): 90658340

Seed: cpd24239

MetaNetX: MNXM98445