CHEBI:15500 - 4-hydroxybenzoyl-CoA

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ChEBI Name 4-hydroxybenzoyl-CoA ChEBI ID CHEBI:15500 Definition A hydroxybenzoyl-CoA that is the S-(4-hydroxybenzoyl) derivative of coenzyme A. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:40998, CHEBI:1859, CHEBI:12004, CHEBI:12005, CHEBI:20399 Supplier Information ChemicalBook:CB5853669, eMolecules:482486, ZINC000000001507 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H40N7O18P3S Net Charge 0 Average Mass 887.64086 Monoisotopic Mass 887.13634 InChI InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1 InChIKey LTVXPVBFJBTNIJ-TYHXJLICSA-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)c1ccc(O)cc1 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 4-hydroxybenzoyl-CoA (CHEBI:15500) has functional parent 4-hydroxybenzoic acid (CHEBI:30763) 4-hydroxybenzoyl-CoA (CHEBI:15500) has functional parent benzoyl-CoA (CHEBI:15515) 4-hydroxybenzoyl-CoA (CHEBI:15500) is a hydroxybenzoyl-CoA (CHEBI:24678) 4-hydroxybenzoyl-CoA (CHEBI:15500) is conjugate acid of 4-hydroxybenzoyl-CoA(4−) (CHEBI:57356) Incoming 4-hydroxybenzoyl-CoA(4−) (CHEBI:57356) is conjugate base of 4-hydroxybenzoyl-CoA (CHEBI:15500) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 4-Hydroxybenzoyl-CoA KEGG COMPOUND 4-Hydroxybenzoyl-coa ChemIDplus 4-Hydroxybenzoyl-coenzyme A ChemIDplus Coenzyme A, S-(4-hydroxybenzoate) ChemIDplus p-hydroxybenzoyl-CoA ChEBI p-hydroxybenzoyl-coenzyme A ChEBI S-(4-hydroxybenzoyl)-CoA ChEBI Manual Xrefs Databases c0124 UM-BBD C02949 KEGG COMPOUND DB01652 DrugBank View more database links Registry Numbers Types Sources 27718-41-8 CAS Registry Number ChemIDplus 8399070 Reaxys Registry Number Reaxys Citations Types Sources 12232327 PubMed citation Europe PMC 17449613 PubMed citation Europe PMC 18539747 PubMed citation Europe PMC 9047322 PubMed citation Europe PMC Last Modified 22 April 2015