(E)-4-coumaroyl-CoA

Chemical Formula:

C₃₀H₃₈N₇O₁₈P₃S

Molecular Weight:

909.648 Daltons

Monoisotopic Mass:

913.1519878024 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=CC(O)=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/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/b8-5+/t19-,23-,24-,25+,29-/m1/s1

InChIKey:

DMZOKBALNZWDKI-MATMFAIHSA-J

Synonyms

p-coumaroyl-CoA
4-hydroxycinnamoyl-CoA
4-coumaryl-CoA
p-coumaryl-CoA
4-coumaroyl-CoA
trans-4-coumaroyl-CoA

Databases

MetaCyc: P-COUMAROYL-COA

PubChem (CID): 45266584

HMDB: HMDB60153

KEGG: C00223

ChEBI: 15499

PupChem (SID): 3523

CHEMBL: CHEMBL250086

PDB-CCD: WCA

NIKKAJI: J796.717I

MetaNetX: MNXM264

KNApSAcK: C00007280