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CHEBI:15484 - 3-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)c1cccc(O)c1 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 3-Hydroxybenzoyl-CoA | KEGG COMPOUND |
| 3-hydroxybenzoyl-coenzyme A | ChEBI |
| m-hydroxybenzoyl-CoA | ChEBI |
| m-hydroxybenzoyl-coenzyme A | ChEBI |
| Citations |
|---|