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CHEBI:185854 - DACP analog of retinoic acid

Default Structure
ChEBI IDCHEBI:185854
ChEBI NameDACP analog of retinoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESCC(=O)C1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC1
InChIInChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-18-17(16(3)21)11-12-20(18,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
InChIKeyFSLMGODKGHHERM-FRCNGJHJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
DACP analog of retinoic acid (CHEBI:185854) is a retinoid (CHEBI:26537)
IUPAC Name 
(2E,4E,6E,8E)-9-(2-acetyl-5,5-dimethylcyclopenten-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
4942638ChemSpider
LMPR01090027LIPID MAPS
Registry NumbersSources
CAS:35732-12-8ChemIDplus