4-(4-Methylcyclohexyl)-4-oxobutanoic acid (CHEBI:230757)

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CHEBI:230757 - 4-(4-Methylcyclohexyl)-4-oxobutanoic acid

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ChEBI ID	CHEBI:230757
ChEBI Name	4-(4-Methylcyclohexyl)-4-oxobutanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H18O3
Net Charge	0
Average Mass	198.262
Monoisotopic Mass	198.12559
SMILES	CC1CCC(C(=O)CCC(=O)O)CC1
InChI	InChI=1S/C11H18O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h8-9H,2-7H2,1H3,(H,13,14)
InChIKey	JOWMTYWOBJALGB-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	4-(4-Methylcyclohexyl)-4-oxobutanoic acid (CHEBI:230757) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
4-(4-methylcyclohexyl)-4-oxobutanoic acid

Manual Xrefs	Databases
5294250	ChemSpider
HMDB0253742	HMDB