EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177281 - 9,13-cis-Retinoic acid

Default Structure
ChEBI IDCHEBI:177281
ChEBI Name9,13-cis-Retinoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
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)/b9-6+,12-11+,15-8-,16-14-
InChIKeySHGAZHPCJJPHSC-CDMOMSTLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) Article Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
9,13-cis-Retinoic acid (CHEBI:177281) is a retinoid (CHEBI:26537)
IUPAC Name 
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
4925342ChemSpider
C00777KEGG COMPOUND
HMDB0012874HMDB
LMPR01090023LIPID MAPS
RETINOATEMetaCyc
Registry NumbersSources
CAS:5352-74-9ChemIDplus