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CHEBI:28576 - 2,6-dihydroxycyclohexane-1-carbonyl-CoA
| Formula | C28H46N7O19P3S |
| Net Charge | 0 |
| Average Mass | 909.695 |
| Monoisotopic Mass | 909.17820 |
| 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)C1C(O)CCCC1O |
| InChI | InChI=1S/C28H46N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-16,18,20-22,26,36-37,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t14?,15?,16-,18?,20-,21-,22+,26-/m1/s1 |
| InChIKey | IDVOAQDDLQQSLO-CXCAYBSSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,6-dihydroxycyclohexane-1-carbonyl-CoA (CHEBI:28576) has functional parent cyclohexane-1-carbonyl-CoA (CHEBI:28557) |
| 2,6-dihydroxycyclohexane-1-carbonyl-CoA (CHEBI:28576) has role mouse metabolite (CHEBI:75771) |
| 2,6-dihydroxycyclohexane-1-carbonyl-CoA (CHEBI:28576) is a hydroxyacyl-CoA (CHEBI:62618) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2,6-dihydroxycyclohexane-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 2,6-Dihydroxycyclohexane-1-carboxyl-CoA | KEGG COMPOUND |
| 2,6-dihydroxycyclohexane-1-carbonyl-coenzyme A | ChEBI |