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CHEBI:190371 - 19-Hydroxy-13-cis-retinoic acid

Default Structure
ChEBI IDCHEBI:190371
ChEBI Name19-Hydroxy-13-cis-retinoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESCC1=C(/C=C/C(=C/C=C/C(C)=C\C(=O)O)CO)C(C)(C)CCC1
InChIInChI=1S/C20H28O3/c1-15(13-19(22)23)7-5-9-17(14-21)10-11-18-16(2)8-6-12-20(18,3)4/h5,7,9-11,13,21H,6,8,12,14H2,1-4H3,(H,22,23)/b7-5+,11-10+,15-13-,17-9-
InChIKeyQZKISTBYGXZBOE-WMBSQONYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
19-Hydroxy-13-cis-retinoic acid (CHEBI:190371) is a retinoid (CHEBI:26537)
IUPAC Name 
(2Z,4E,6Z,8E)-7-(hydroxymethyl)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
17220983ChemSpider
LMPR01090029LIPID MAPS