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CHEBI:20052 - 3-hydroxy-5-oxohexanoyl-CoA
| Formula | C27H44N7O19P3S |
| Net Charge | 0 |
| Average Mass | 895.668 |
| Monoisotopic Mass | 895.16255 |
| SMILES | CC(=O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 |
| InChI | InChI=1S/C27H44N7O19P3S/c1-14(35)8-15(36)9-18(38)57-7-6-29-17(37)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-16-21(52-54(42,43)44)20(39)26(51-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15-16,20-22,26,36,39-40H,4-11H2,1-3H3,(H,29,37)(H,30,41)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15?,16-,20-,21-,22+,26-/m1/s1 |
| InChIKey | LTOOEXBCTAXFSU-SNIDVWGTSA-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) |
| 3-hydroxy-5-oxohexanoyl-CoA (CHEBI:20052) has functional parent 3-hydroxy-5-oxohexanoic acid (CHEBI:37032) |
| 3-hydroxy-5-oxohexanoyl-CoA (CHEBI:20052) has functional parent hexanoyl-CoA (CHEBI:27540) |
| 3-hydroxy-5-oxohexanoyl-CoA (CHEBI:20052) has role mouse metabolite (CHEBI:75771) |
| 3-hydroxy-5-oxohexanoyl-CoA (CHEBI:20052) is a hydroxy fatty acyl-CoA (CHEBI:61902) |
| 3-hydroxy-5-oxohexanoyl-CoA (CHEBI:20052) is a oxo-fatty acyl-CoA (CHEBI:61903) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-5-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 3-Hydroxy-5-oxohexanoyl-CoA | UM-BBD |
| 3-hydroxy-5-oxohexanoyl-coenzyme A | ChEBI |
| adenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-hydroxy-5-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester | ChEBI |