CHEBI:10956 - (E)-cinnamoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-cinnamoyl-CoA
ChEBI ID CHEBI:10956
ChEBI ASCII Name (E)-cinnamoyl-CoA
Definition The (E)-isomer of cinnamoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H42N7O17P3S
Net Charge 0
Average Mass 897.67874
Monoisotopic Mass 897.15708
InChI 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)/b9-8+/t19-,23-,24-,25+,29-/m1/s1
InChIKey JVNVHNHITFVWIX-KZKUDURGSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccccc1
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (E)-cinnamoyl-CoA (CHEBI:10956) is a cinnamoyl-CoA (CHEBI:15463)
(E)-cinnamoyl-CoA (CHEBI:10956) is conjugate acid of (E)-cinnamoyl-CoA(4−) (CHEBI:57252)
Incoming (E)-cinnamoyl-CoA(4−) (CHEBI:57252) is conjugate base of (E)-cinnamoyl-CoA (CHEBI:10956)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
Synonyms Sources
Cinnamoyl-coenzyme A ChemIDplus
Coenzyme A, S-(3-phenyl-2-propenoate), (E)- ChemIDplus
Manual Xref Database
C16256 KEGG COMPOUND
View more database links
Registry Number Type Source
76109-04-1 CAS Registry Number ChemIDplus
Last Modified
04 August 2014