CHEBI:71211 - (4-coumaroyl)acetyl-CoA(4−)

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ChEBI Name (4-coumaroyl)acetyl-CoA(4−)
ChEBI ID CHEBI:71211
ChEBI ASCII Name (4-coumaroyl)acetyl-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (4-coumaroyl)acetyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C32H40N7O19P3S
Net Charge -4
Average Mass 951.68200
Monoisotopic Mass 951.13345
InChI InChI=1S/C32H44N7O19P3S/c1-32(2,27(45)30(46)35-10-9-22(42)34-11-12-62-23(43)13-20(41)8-5-18-3-6-19(40)7-4-18)15-55-61(52,53)58-60(50,51)54-14-21-26(57-59(47,48)49)25(44)31(56-21)39-17-38-24-28(33)36-16-37-29(24)39/h3-8,16-17,21,25-27,31,40,44-45H,9-15H2,1-2H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-4/t21-,25-,26-,27+,31-/m1/s1
InChIKey FZWJGTSJBJBNKS-GRBGHKMPSA-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)CC(=O)C=Cc1ccc(O)cc1
ChEBI Ontology
Outgoing (4-coumaroyl)acetyl-CoA(4−) (CHEBI:71211) is a acyl-CoA(4−) (CHEBI:58342)
(4-coumaroyl)acetyl-CoA(4−) (CHEBI:71211) is conjugate base of (4-coumaroyl)acetyl-CoA (CHEBI:71215)
Incoming (4-coumaroyl)acetyl-CoA (CHEBI:71215) is conjugate acid of (4-coumaroyl)acetyl-CoA(4−) (CHEBI:71211)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[5-(4-hydroxyphenyl)-3-oxopent-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(4-coumaroyl)acetyl-CoA UniProt
(4-coumaroyl)acetyl-coenzyme A(4−) ChEBI
p-coumaroyldiketide-CoA SUBMITTER
p-coumaroyldiketide-coenzyme A MetaCyc
Manual Xref Database
CPD-12184 MetaCyc
View more database links
Citation Waiting for Citations Type Source
21117241 PubMed citation SUBMITTER
Last Modified
21 November 2012