(2E,9Z)-hexadecenoyl-CoA

Chemical Formula:

C₃₇H₅₈N₇O₁₇P₃S

Molecular Weight:

997.883 Daltons

Monoisotopic Mass:

1001.3135738223 Daltons

SMILES:

CCCCCCC=CCCCCCC=CC(=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/C37H62N7O17P3S/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/h9-10,16-17,24-26,30-32,36,47-48H,4-8,11-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b10-9-,17-16+/t26-,30-,31-,32+,36-/m1/s1

InChIKey:

BEQWCBBSKHMRCA-HENMZMGOSA-J

Synonyms

16:2-Δ2,Δ9-CoA
2-trans,9-cis-hexadecenoyl-CoA

Databases

MetaCyc: CPD-19162

ChEBI: 77549

PubChem (CID): 86289268

MetaNetX: MNXM146680