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CHEBI:57252 - (E)-cinnamoyl-CoA(4−)

ChEBI IDCHEBI:57252
ChEBI Name(E)-cinnamoyl-CoA(4−)
Stars
ASCII Name(E)-cinnamoyl-CoA(4-)
DefinitionTetraanion of (E)-cinnamoyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.
Last Modified27 September 2013
DownloadsMolfile
FormulaC30H38N7O17P3S
Net Charge-4
Average Mass893.655
Monoisotopic Mass893.12797
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/c1ccccc1
InChIInChI=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
InChIKeyJVNVHNHITFVWIX-KZKUDURGSA-J
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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}
UniProt Name  Source
(E)-cinnamoyl-CoAUniProt