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CHEBI:28964 - phenoxyacetyl-CoA

ChEBI IDCHEBI:28964
ChEBI Namephenoxyacetyl-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenoxyacetic acid.
Secondary ChEBI IDsCHEBI:8076, CHEBI:25971
Last Modified3 August 2014
DownloadsMolfile
FormulaC29H42N7O18P3S
Net Charge0
Average Mass901.675
Monoisotopic Mass901.15199
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)COc1ccccc1
InChIInChI=1S/C29H42N7O18P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-58-20(38)13-49-17-6-4-3-5-7-17)14-51-57(47,48)54-56(45,46)50-12-18-23(53-55(42,43)44)22(39)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1
InChIKeySBPBPUFWNOBPMN-CECATXLMSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
phenoxyacetyl-CoA (CHEBI:28964) has functional parent phenoxyacetic acid (CHEBI:8075)
phenoxyacetyl-CoA (CHEBI:28964) is a acyl-CoA (CHEBI:17984)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenoxyacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl]dihydrogen diphosphate}
Synonyms  Source
Phenoxyacetyl-CoAKEGG COMPOUND
phenoxyacetyl-coenzyme AChEBI
Manual XrefsDatabases
C02577KEGG COMPOUND
Citations