CHEBI:80657 - all-trans-18-hydroxyretinoic acid

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ChEBI Name all-trans-18-hydroxyretinoic acid ChEBI ID CHEBI:80657 ChEBI ASCII Name all-trans-18-hydroxyretinoic acid Definition A retinoid that consists of all-trans-retinoic acid bearing an hydroxy substituent at position 18. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H28O3 Net Charge 0 Average Mass 316.435 Monoisotopic Mass 316.20384 InChI InChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/b8-5+,11-10+,15-7+,16-13+ InChIKey XSJOIRFEYHJNAW-FCKHSPHMSA-N SMILES C1(C)(C)CCCC(=C1\C=C\C(=C\C=C\C(=C\C(=O)O)\C)\C)CO 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 xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing all-trans-18-hydroxyretinoic acid (CHEBI:80657) has functional parent all-trans-retinoic acid (CHEBI:15367) all-trans-18-hydroxyretinoic acid (CHEBI:80657) has role human xenobiotic metabolite (CHEBI:76967) all-trans-18-hydroxyretinoic acid (CHEBI:80657) is a hydroxy monocarboxylic acid (CHEBI:35868) all-trans-18-hydroxyretinoic acid (CHEBI:80657) is a retinoid (CHEBI:26537) all-trans-18-hydroxyretinoic acid (CHEBI:80657) is conjugate acid of all-trans-18-hydroxyretinoate (CHEBI:139258) Incoming all-trans-18-hydroxyretinoate (CHEBI:139258) is conjugate base of all-trans-18-hydroxyretinoic acid (CHEBI:80657) IUPAC Name (2E,4E,6E,8E)-9-[2-(hydroxymethyl)-6,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid Synonyms Sources 18-hydroxy-all-trans-retinoic acid ChEBI 18-hydroxyretinoic acid ChEBI all-trans-9-(2-(Hydroxymethyl)-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid ChemIDplus Manual Xrefs Databases C16679 KEGG COMPOUND HMDB0012452 HMDB LMPR01090054 LIPID MAPS View more database links Registry Numbers Types Sources 4509180 Reaxys Registry Number Reaxys 63531-93-1 CAS Registry Number ChemIDplus Citations Types Sources 1932598 PubMed citation Europe PMC 22020119 PubMed citation Europe PMC Last Modified 06 February 2018