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CHEBI:78630 - 9-cis-retinoate

ChEBI IDCHEBI:78630
ChEBI Name9-cis-retinoate
Stars
ASCII Name9-cis-retinoate
DefinitionA retinoate that is the conjugate base of 9-cis-retinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified24 February 2017
Submitterlaimo
DownloadsMolfile
FormulaC20H27O2
Net Charge-1
Average Mass299.434
Monoisotopic Mass299.20165
SMILESCC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC1
InChIInChI=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)/p-1/b9-6+,12-11+,15-8-,16-14+
InChIKeySHGAZHPCJJPHSC-ZVCIMWCZSA-M
Roles Classification
Biological Roles:
retinoid X receptor agonist  An agonist that selectively binds to and activates a retinoid X receptor.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
keratolytic drug  A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
9-cis-retinoate (CHEBI:78630) has role antineoplastic agent (CHEBI:35610)
9-cis-retinoate (CHEBI:78630) has role keratolytic drug (CHEBI:50176)
9-cis-retinoate (CHEBI:78630) has role metabolite (CHEBI:25212)
9-cis-retinoate (CHEBI:78630) has role retinoid X receptor agonist (CHEBI:63794)
9-cis-retinoate (CHEBI:78630) is a retinoate (CHEBI:15036)
9-cis-retinoate (CHEBI:78630) is conjugate base of 9-cis-retinoic acid (CHEBI:50648)
Incoming Relation(s)
9-cis-retinoic acid (CHEBI:50648) is conjugate acid of 9-cis-retinoate (CHEBI:78630)
IUPAC Name 
(9cis)-15-oxidoretinal
Synonym  Source
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoateSUBMITTER
UniProt Name  Source
9-cis-retinoateUniProt