DACP analog of retinoic acid (CHEBI:185854)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	DACP analog of retinoic acid

ChEBI ID	CHEBI:185854

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H26O3

Net Charge

Average Mass

314.425

Monoisotopic Mass

314.18819

InChI

InChI=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+

InChIKey

FSLMGODKGHHERM-FRCNGJHJSA-N

SMILES

O=C(C1=C(C(CC1)(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C(O)=O)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
35732-12-8	CAS Registry Number	ChemIDplus