3-phenylpropanoyl-CoA

Chemical Formula:

C₃₀H₄₀N₇O₁₇P₃S

Molecular Weight:

895.664 Daltons

Monoisotopic Mass:

899.1727232444999 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]

InChI:

1S/C30H44N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-7,16-17,19,23-25,29,40-41H,8-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t19-,23-,24-,25+,29-/m1/s1

InChIKey:

HYSDRCZPYSOWME-FUEUKBNZSA-J

Synonyms

dihydrocinnamoyl-CoA
3-phenylpropionyl-CoA

Databases

MetaCyc: CPD-503

ChEBI: 85676

PubChem (CID): 90657728

Seed: cpd24551

MetaNetX: MNXM8128