EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:139265 - all-trans-4-oxo-18-hydroxyretinoic acid
| Formula | C20H26O4 |
| Net Charge | 0 |
| Average Mass | 330.424 |
| Monoisotopic Mass | 330.18311 |
| SMILES | CC(/C=C/C1=C(CO)C(=O)CCC1(C)C)=C\C=C\C(C)=C\C(=O)O |
| InChI | InChI=1S/C20H26O4/c1-14(6-5-7-15(2)12-19(23)24)8-9-17-16(13-21)18(22)10-11-20(17,3)4/h5-9,12,21H,10-11,13H2,1-4H3,(H,23,24)/b7-5+,9-8+,14-6+,15-12+ |
| InChIKey | QUKONIROJIAMOO-ZMNXUKPGSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| all-trans-4-oxo-18-hydroxyretinoic acid (CHEBI:139265) has functional parent all-trans-retinoic acid (CHEBI:15367) |
| all-trans-4-oxo-18-hydroxyretinoic acid (CHEBI:139265) is a enone (CHEBI:51689) |
| all-trans-4-oxo-18-hydroxyretinoic acid (CHEBI:139265) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| all-trans-4-oxo-18-hydroxyretinoic acid (CHEBI:139265) is a oxo monocarboxylic acid (CHEBI:35871) |
| all-trans-4-oxo-18-hydroxyretinoic acid (CHEBI:139265) is a retinoid (CHEBI:26537) |
| all-trans-4-oxo-18-hydroxyretinoic acid (CHEBI:139265) is conjugate acid of all-trans-4-oxo-18-hydroxyretinoate (CHEBI:139266) |
| Incoming Relation(s) |
| all-trans-4-oxo-18-hydroxyretinoate (CHEBI:139266) is conjugate base of all-trans-4-oxo-18-hydroxyretinoic acid (CHEBI:139265) |
| IUPAC Name |
|---|
| (2E,4E,6E,8E)-9-[2-(hydroxymethyl)-6,6-dimethyl-3-oxocyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid |
| Synonyms | Source |
|---|---|
| 4-oxo-18-hydroxyretinoic acid | ChEBI |
| all-trans-18-hydroxy-4-oxoretinoic acid | ChEBI |
| 4-oxo-18-hydroxy-all-trans-retinoic acid | ChEBI |
| 18-hydroxy-4-oxo-all-trans-retinoic acid | ChEBI |
| 18-hydroxy-4-oxoretinoic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:23145316 | Reaxys |
| Citations |
|---|