CHEBI:32587 - 2-hydroxybenzoyl-CoA

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ChEBI Name 2-hydroxybenzoyl-CoA ChEBI ID CHEBI:32587 Definition A hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxybenzoic 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 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)15-5-3-4-6-16(15)36)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 YTKKDFTVSNSVEE-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)c1ccccc1O 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 2-hydroxybenzoyl-CoA (CHEBI:32587) has functional parent benzoyl-CoA (CHEBI:15515) 2-hydroxybenzoyl-CoA (CHEBI:32587) has functional parent salicylic acid (CHEBI:16914) 2-hydroxybenzoyl-CoA (CHEBI:32587) is a hydroxybenzoyl-CoA (CHEBI:24678) 2-hydroxybenzoyl-CoA (CHEBI:32587) is conjugate acid of 2-hydroxybenzoyl-CoA(4−) (CHEBI:67148) Incoming 2-hydroxybenzoyl-CoA(4−) (CHEBI:67148) is conjugate base of 2-hydroxybenzoyl-CoA (CHEBI:32587) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 2-hydroxybenzoyl-coenzyme A ChEBI o-hydroxybenzoyl-CoA ChEBI o-hydroxybenzoyl-coenzyme A ChEBI salicoyl-CoA ChEBI salicoyl-coenzyme A ChEBI Registry Number Type Source 20087216 Reaxys Registry Number Reaxys Citation Type Source 19757094 PubMed citation Europe PMC Last Modified 22 April 2015