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CHEBI:85676 - 3-phenylpropanoyl-CoA(4−)

ChEBI IDCHEBI:85676
ChEBI Name3-phenylpropanoyl-CoA(4−)
Stars
ASCII Name3-phenylpropanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-phenylpropanoyl-CoA; major species at pH 7.3.
Last Modified4 June 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H40N7O17P3S
Net Charge-4
Average Mass895.671
Monoisotopic Mass895.14362
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)CCc1ccccc1
InChIInChI=1S/C30H44N7O17P3S/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/h3-7,16-17,19,23-25,29,40-41H,8-15H2,1-2H3,(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
InChIKeyHYSDRCZPYSOWME-FUEUKBNZSA-J
ChEBI Ontology
Outgoing Relation(s)
3-phenylpropanoyl-CoA(4−) (CHEBI:85676) is a acyl-CoA(4−) (CHEBI:58342)
3-phenylpropanoyl-CoA(4−) (CHEBI:85676) is conjugate base of 3-phenylpropanoyl-CoA (CHEBI:85675)
Incoming Relation(s)
3-phenylpropanoyl-CoA (CHEBI:85675) is conjugate acid of 3-phenylpropanoyl-CoA(4−) (CHEBI:85676)
Synonyms  Source
3-phenylpropionyl-CoA(4−)SUBMITTER
dihydrocinnamoyl-CoA(4−)SUBMITTER
dihydrocinnamoyl-coenzyme A(4−)ChEBI
3-phenylpropionyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-phenylpropanoyl-CoAUniProt
Manual XrefsDatabases
CPD-503MetaCyc