Molecule Identification Common Name (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid Definition all-trans-Retinoic acid, also known as all-trans-b-retinoate or agn 100335, belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. all-trans-Retinoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. all-trans-Retinoic acid is a potentially toxic compound. Structure C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ Synonyms Value Source (all-e)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid ChEBI 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ecl) ChEBI AGN 100335 ChEBI all-(e)-Retinoic acid ChEBI all-trans-beta-Retinoic acid ChEBI all-trans-Tretinoin ChEBI all-trans-Vitamin a acid ChEBI all-trans-Vitamin a1 acid ChEBI beta-Retinoic acid ChEBI Eudyna ChEBI Renova ChEBI Retin-a ChEBI Retinoic acid ChEBI Retisol-a ChEBI Ro 1-5488 ChEBI Solage ChEBI Stieva-a ChEBI trans-Retinoic acid ChEBI Tretin m ChEBI Tretinoin ChEBI Vesanoid ChEBI Vitamin a acid ChEBI Vitinoin ChEBI all-trans-Retinoate Kegg Avita Kegg Retin a Kegg (all-e)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate Generator 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoate (ecl) Generator all-(e)-Retinoate Generator all-trans-b-Retinoate Generator all-trans-b-Retinoic acid Generator all-trans-beta-Retinoate Generator all-trans-Β-retinoate Generator all-trans-Β-retinoic acid Generator b-Retinoate Generator b-Retinoic acid Generator beta-Retinoate Generator Β-retinoate Generator Β-retinoic acid Generator Retinoate Generator trans-Retinoate Generator (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate HMDB Tretinoin zinc salt HMDB trans Retinoic acid HMDB Acid, all-trans-retinoic HMDB Salt, tretinoin sodium HMDB beta all trans Retinoic acid HMDB beta-all-trans-Retinoic acid HMDB Acid, vitamin a HMDB Potassium salt, tretinoin HMDB Sodium salt, tretinoin HMDB Acid, beta-all-trans-retinoic HMDB Tretinoin potassium salt HMDB Zinc salt, tretinoin HMDB Acid, retinoic HMDB Acid, trans-retinoic HMDB Salt, tretinoin potassium HMDB Salt, tretinoin zinc HMDB Tretinoin sodium salt HMDB all trans Retinoic acid HMDB Retin-a micro HMDB Atralin HMDB Tretin-X HMDB all-trans-Retinoic acid MeSH
Chemical Formula C20 H28 O2 Average Molecular Weight 300.442 Monoisotopic Molecular Weight 300.208930142 IUPAC Name (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid Traditional Name tretinoin CAS Registry Number 302-79-4 SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
InChI Identifier InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
InChI Key SHGAZHPCJJPHSC-YCNIQYBTSA-N 
