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 ZINC000096006026 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 Last Modified 22 April 2015