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

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ChEBI Name 3-phenylpropanoyl-CoA(4−)
ChEBI ID CHEBI:85676
ChEBI ASCII Name 3-phenylpropanoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-phenylpropanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C30H40N7O17P3S
Net Charge -4
Average Mass 895.66400
Monoisotopic Mass 895.14362
InChI InChI=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
InChIKey HYSDRCZPYSOWME-FUEUKBNZSA-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)CCc1ccccc1
ChEBI Ontology
Outgoing 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 3-phenylpropanoyl-CoA (CHEBI:85675) is conjugate acid of 3-phenylpropanoyl-CoA(4−) (CHEBI:85676)
Synonyms Sources
3-phenylpropanoyl-CoA UniProt
3-phenylpropionyl-CoA(4−) SUBMITTER
3-phenylpropionyl-coenzyme A(4−) ChEBI
dihydrocinnamoyl-CoA(4−) SUBMITTER
dihydrocinnamoyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD-503 MetaCyc
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Last Modified
04 June 2015