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CHEBI:15500 - 4-hydroxybenzoyl-CoA
| Formula | C28H40N7O18P3S |
| Net Charge | 0 |
| Average Mass | 887.648 |
| Monoisotopic Mass | 887.13634 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 4-Hydroxybenzoyl-CoA | KEGG COMPOUND |
| 4-Hydroxybenzoyl-coenzyme A | ChemIDplus |
| 4-Hydroxybenzoyl-coa | ChemIDplus |
| Coenzyme A, S-(4-hydroxybenzoate) | ChemIDplus |
| p-hydroxybenzoyl-coenzyme A | ChEBI |
| p-hydroxybenzoyl-CoA | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8399070 | Reaxys |
| CAS:27718-41-8 | ChemIDplus |
| Citations |
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