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CHEBI:84107 - 1-O-(4-oxoretinoyl)-β-D-glucuronic acid
| Formula | C26H34O9 |
| Net Charge | 0 |
| Average Mass | 490.549 |
| Monoisotopic Mass | 490.22028 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O |
| InChI | InChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/b8-6+,10-9+,14-7+,15-13+/t20-,21-,22+,23-,25+/m0/s1 |
| InChIKey | SIKFAVWPHMSCBL-QKLNHPSXSA-N |
| Roles Classification |
|---|
| Biological Role: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) has functional parent all-trans-4-oxoretinoic acid (CHEBI:80656) |
| 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is a enone (CHEBI:51689) |
| 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is a ketoretinoic acid glucuronide (CHEBI:84105) |
| 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is a β-D-glucosiduronic acid (CHEBI:15341) |
| 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) is conjugate acid of 1-O-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185) |
| Incoming Relation(s) |
| 1-O-(4-oxoretinoyl)-β-D-glucuronate (CHEBI:139185) is conjugate base of 1-O-(4-oxoretinoyl)-β-D-glucuronic acid (CHEBI:84107) |
| IUPAC Name |
|---|
| O15-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]-4-oxoretinoic acid |
| Synonyms | Source |
|---|---|
| 1-O-(all-trans-4-oxoretinoyl)-β-D-glucuronic acid | ChEBI |
| 1-O-(all-trans-4-oxoretinoyl)-β-D-glucuronide | ChEBI |
| 1-O-(4-oxoretinoyl)-β-D-glucuronide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7523383 | Reaxys |