(2E)-hexadecenoyl-CoA

Chemical Formula:

C₃₇H₆₀N₇O₁₇P₃S

Molecular Weight:

999.899 Daltons

Monoisotopic Mass:

1003.3292238865 Daltons

SMILES:

CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O

InChI:

1S/C37H64N7O17P3S/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/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b17-16+/t26-,30-,31-,32+,36-/m1/s1

InChIKey:

JUPAQFRKPHPXLD-MSHHSVQMSA-J

Synonyms

trans-2-hexadecenoyl-CoA
trans-hexadec-2-enoyl-CoA

Databases

MetaCyc: CPD0-2117

BiGG: hdd2coa

MetaboLights: MTBLC61526

HMDB: HMDB03945

ChEBI: 61526

PubChem (CID): 46173176

KEGG: C05272

Reactome: 77284

Seed: cpd03126

MetaNetX: MNXM581