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CHEBI:28169 - 2-hydroxycyclohexane-1-carbonyl-CoA
| Formula | C28H46N7O18P3S |
| Net Charge | 0 |
| Average Mass | 893.696 |
| Monoisotopic Mass | 893.18329 |
| 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)C1CCCCC1O |
| InChI | InChI=1S/C28H46N7O18P3S/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/h13-17,20-22,26,36,38-39H,3-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,16?,17-,20-,21-,22+,26-/m1/s1 |
| InChIKey | OIFANTIHESWSAR-AZKLLKNGSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-hydroxycyclohexane-1-carbonyl-CoA (CHEBI:28169) has functional parent 2-hydroxycyclohexanecarboxylic acid (CHEBI:37377) |
| 2-hydroxycyclohexane-1-carbonyl-CoA (CHEBI:28169) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557) |
| 2-hydroxycyclohexane-1-carbonyl-CoA (CHEBI:28169) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxycyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 2-Hydroxycyclohexane-1-carboxyl-CoA | KEGG COMPOUND |
| 2-Hydroxycyclohexane-1-carbonyl-CoA | UM-BBD |
| 2-Hydroxycyclohexanecarbonyl-CoA | UM-BBD |
| 2-Hydroxycyclohexanecarboxyl-CoA | UM-BBD |
| 2-hydroxycyclohexanecarboxyl-coenzyme A | ChEBI |
| 2-hydroxycyclohexane-1-carbonyl-coenzyme A | ChEBI |