(E)-cinnamoyl-CoA

(<i>E</i>)-cinnamoyl-CoA




Chemical Formula:
C30H38N7O17P3S
Molecular Weight:
893.648 Daltons
Monoisotopic Mass:
897.1570731803 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=CC=C1))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/C30H42N7O17P3S/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/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/b9-8+/t19-,23-,24-,25+,29-/m1/s1
InChIKey:
JVNVHNHITFVWIX-KZKUDURGSA-J

Synonyms
  • trans-cinnamoyl-CoA

Databases
MetaCyc:  CINNAMOYL-COA
ChEBI:  57252
PubChem (CID):  44229143
KEGG:  C16256