4-trans-undecenoyl-CoA

Chemical Formula:

C₃₂H₅₀N₇O₁₇P₃S

Molecular Weight:

929.765 Daltons

Monoisotopic Mass:

933.2509735655 Daltons

SMILES:

CCCCCCC=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/C32H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h9-10,19-21,25-27,31,42-43H,4-8,11-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/b10-9+/t21-,25-,26-,27+,31-/m1/s1

InChIKey:

AFMMIIQKXQNEDN-DUPKWVSKSA-J

Synonyms

4E-undecenoyl-CoA

Databases

MetaCyc: CPD-15677

PubChem (CID): 90658640

MetaNetX: MNXM147840