CHEBI:78630 - 9-cis-retinoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9-cis-retinoate
ChEBI ID CHEBI:78630
ChEBI ASCII Name 9-cis-retinoate
Definition A retinoate that is the conjugate base of 9-cis-retinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C20H27O2
Net Charge -1
Average Mass 299.42770
Monoisotopic Mass 299.20165
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)/p-1/b9-6+,12-11+,15-8-,16-14+
InChIKey SHGAZHPCJJPHSC-ZVCIMWCZSA-M
SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C([O-])=O
Roles Classification
Biological Role(s): 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 9-cis-retinoic acid (CHEBI:50648) is conjugate acid of 9-cis-retinoate (CHEBI:78630)
IUPAC Name
(9cis)-15-oxidoretinal
Synonyms Sources
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate SUBMITTER
9-cis-retinoate UniProt
Last Modified
24 February 2017