4-acetyl-2,3,4,5,5-pentamethyl-2-Cyclopenten-1-one (CHEBI:229431)

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	4-acetyl-2,3,4,5,5-pentamethyl-2-Cyclopenten-1-one

ChEBI ID	CHEBI:229431

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H18O2

Net Charge

Average Mass

194.274

Monoisotopic Mass

194.13068

InChI

InChI=1S/C12H18O2/c1-7-8(2)12(6,9(3)13)11(4,5)10(7)14/h1-6H3

InChIKey

XPYNAEMDBLPZGA-UHFFFAOYSA-N

SMILES

O=C1C(C(C(=C1C)C)(C)C(=O)C)(C)C

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-acetyl-2,3,4,5,5-pentamethyl-2-Cyclopenten-1-one (CHEBI:229431) is a monoterpenoid (CHEBI:25409)

IUPAC Name

4-acetyl-2,3,4,5,5-pentamethylcyclopent-2-en-1-one