CHEBI:26536 - retinoic acid

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ChEBI Name retinoic acid ChEBI ID CHEBI:26536 Definition A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information eMolecules:31492408, ZINC000003777403 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H28O2 Net Charge 0 Average Mass 300.43512 Monoisotopic Mass 300.20893 InChI 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) InChIKey SHGAZHPCJJPHSC-UHFFFAOYSA-N SMILES CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing retinoic acid (CHEBI:26536) has role human metabolite (CHEBI:77746) retinoic acid (CHEBI:26536) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) retinoic acid (CHEBI:26536) is a retinoid (CHEBI:26537) retinoic acid (CHEBI:26536) is conjugate acid of retinoate (CHEBI:15036) Incoming 11-cis-retinoic acid (CHEBI:46856) is a retinoic acid (CHEBI:26536) 9-cis-retinoic acid (CHEBI:50648) is a retinoic acid (CHEBI:26536) all-trans-retinoic acid (CHEBI:15367) is a retinoic acid (CHEBI:26536) isotretinoin (CHEBI:6067) is a retinoic acid (CHEBI:26536) retinoate (CHEBI:15036) is conjugate base of retinoic acid (CHEBI:26536) IUPAC Name 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid Manual Xref Database LSM-2135 LINCS View more database links Citation Type Source 24506204 PubMed citation Europe PMC Last Modified 24 February 2016