CHEBI:50117 - phenylglyoxylyl-CoA

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ChEBI Name phenylglyoxylyl-CoA ChEBI ID CHEBI:50117 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenylglyoxylic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H40N7O18P3S Net Charge 0 Average Mass 899.65156 Monoisotopic Mass 899.13634 InChI InChI=1S/C29H40N7O18P3S/c1-29(2,23(40)26(41)32-9-8-18(37)31-10-11-58-28(42)20(38)16-6-4-3-5-7-16)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(39)27(52-17)36-15-35-19-24(30)33-14-34-25(19)36/h3-7,14-15,17,21-23,27,39-40H,8-13H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,21-,22-,23+,27-/m1/s1 InChIKey FISPFQWSJIRGHD-SVHODSNWSA-N 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)C(=O)c1ccccc1 Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing phenylglyoxylyl-CoA (CHEBI:50117) has functional parent coenzyme A (CHEBI:15346) phenylglyoxylyl-CoA (CHEBI:50117) has functional parent phenylglyoxylic acid (CHEBI:18280) phenylglyoxylyl-CoA (CHEBI:50117) is a acyl-CoA (CHEBI:17984) phenylglyoxylyl-CoA (CHEBI:50117) is conjugate acid of phenylglyoxylyl-CoA(4−) (CHEBI:58811) Incoming phenylglyoxylyl-CoA(4−) (CHEBI:58811) is conjugate base of phenylglyoxylyl-CoA (CHEBI:50117) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[oxo(phenyl)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} Synonyms Sources 2-ketophenylacetyl-CoA ChEBI 2-ketophenylacetyl-coenzyme A ChEBI 2-oxo-2-phenylacetyl-CoA ChEBI 2-oxo-2-phenylacetyl-coenzyme A ChEBI α-ketophenylacetyl-CoA ChEBI α-ketophenylacetyl-coenzyme A ChEBI benzoyl-formyl coenzyme A ChEBI benzoyl-formyl-CoA ChEBI oxo(phenyl)acetyl-CoA ChEBI oxo(phenyl)acetyl-coenzyme A ChEBI Phenylglyoxylyl-CoA KEGG COMPOUND Manual Xref Database C15524 KEGG COMPOUND View more database links Citation Type Source 10336636 PubMed citation Europe PMC Last Modified 04 August 2014