CHEBI:57252 - (E)-cinnamoyl-CoA(4−)

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ChEBI Name (E)-cinnamoyl-CoA(4−)
ChEBI ID CHEBI:57252
ChEBI ASCII Name (E)-cinnamoyl-CoA(4-)
Definition Tetraanion of (E)-cinnamoyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H38N7O17P3S
Net Charge -4
Average Mass 893.64600
Monoisotopic Mass 893.12797
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)/p-4/b9-8+/t19-,23-,24-,25+,29-/m1/s1
InChIKey JVNVHNHITFVWIX-KZKUDURGSA-J
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
ChEBI Ontology
Outgoing (E)-cinnamoyl-CoA(4−) (CHEBI:57252) is a acyl-CoA(4−) (CHEBI:58342)
(E)-cinnamoyl-CoA(4−) (CHEBI:57252) is conjugate base of (E)-cinnamoyl-CoA (CHEBI:10956)
Incoming (E)-cinnamoyl-CoA (CHEBI:10956) is conjugate acid of (E)-cinnamoyl-CoA(4−) (CHEBI:57252)
IUPAC Name
3'-phosphonatoadenosine 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] diphosphate}
Synonym Source
(E)-cinnamoyl-CoA UniProt
Last Modified
27 September 2013