CHEBI:57324 - cinnamoyl-CoA(4−)

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ChEBI Name cinnamoyl-CoA(4−)
ChEBI ID CHEBI:57324
ChEBI ASCII Name cinnamoyl-CoA(4-)
Definition An acyl-CoA(4−) that is the tetraanion of cinnamoyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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/t19-,23-,24-,25+,29-/m1/s1
InChIKey JVNVHNHITFVWIX-FUEUKBNZSA-J
SMILES [H]C(=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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)c1ccccc1
ChEBI Ontology
Outgoing cinnamoyl-CoA(4−) (CHEBI:57324) is a acyl-CoA(4−) (CHEBI:58342)
cinnamoyl-CoA(4−) (CHEBI:57324) is conjugate base of cinnamoyl-CoA (CHEBI:15463)
Incoming cinnamoyl-CoA (CHEBI:15463) is conjugate acid of cinnamoyl-CoA(4−) (CHEBI:57324)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylprop-2-enoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
Synonyms Sources
3-phenylacrylyl-CoA(4−) ChEBI
benzylideneacetyl-CoA(4−) ChEBI
β-phenylacrylyl-CoA(4−) ChEBI
cinnamoyl-CoA tetraanion ChEBI
cinnamoyl-coenzyme A(4−) ChEBI
Last Modified
08 May 2015