CHEBI:15484 - 3-hydroxybenzoyl-CoA

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ChEBI Name 3-hydroxybenzoyl-CoA ChEBI ID CHEBI:15484 Definition A hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-hydroxybenzoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11829, CHEBI:20065, CHEBI:1539 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 C28H40N7O18P3S Net Charge 0 Average Mass 887.64086 Monoisotopic Mass 887.13634 InChI InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)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/h3-5,10,13-14,17,20-22,26,36,38-39H,6-9,11-12H2,1-2H3,(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 JTBCMZVWWNFUFR-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)c1cccc(O)c1 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 3-hydroxybenzoyl-CoA (CHEBI:15484) has functional parent 3-hydroxybenzoic acid (CHEBI:30764) 3-hydroxybenzoyl-CoA (CHEBI:15484) has functional parent benzoyl-CoA (CHEBI:15515) 3-hydroxybenzoyl-CoA (CHEBI:15484) is a hydroxybenzoyl-CoA (CHEBI:24678) 3-hydroxybenzoyl-CoA (CHEBI:15484) is conjugate acid of 3-hydroxybenzoyl-CoA(4−) (CHEBI:57342) Incoming 3-hydroxybenzoyl-CoA(4−) (CHEBI:57342) is conjugate base of 3-hydroxybenzoyl-CoA (CHEBI:15484) IUPAC Name 3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate] Synonyms Sources 3-Hydroxybenzoyl-CoA KEGG COMPOUND 3-hydroxybenzoyl-coenzyme A ChEBI m-hydroxybenzoyl-CoA ChEBI m-hydroxybenzoyl-coenzyme A ChEBI Manual Xref Database C05195 KEGG COMPOUND View more database links Citations Types Sources 10816048 PubMed citation Europe PMC 11222587 PubMed citation Europe PMC 12076800 PubMed citation Europe PMC 12846828 PubMed citation Europe PMC 18156265 PubMed citation Europe PMC 19710020 PubMed citation Europe PMC 8335640 PubMed citation Europe PMC Last Modified 22 April 2015