1,2-Cyclohexanedicarboxylic acid, 4-methyl- (CHEBI:230809)

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CHEBI:230809 - 1,2-Cyclohexanedicarboxylic acid, 4-methyl-

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ChEBI ID	CHEBI:230809
ChEBI Name	1,2-Cyclohexanedicarboxylic acid, 4-methyl-
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H14O4
Net Charge	0
Average Mass	186.207
Monoisotopic Mass	186.08921
SMILES	CC1CCC(C(=O)O)C(C(=O)O)C1
InChI	InChI=1S/C9H14O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h5-7H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKey	YWVFNWVZBAWOOY-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)
	1,2-Cyclohexanedicarboxylic acid, 4-methyl- (CHEBI:230809) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
4-methylcyclohexane-1,2-dicarboxylic acid

Manual Xrefs	Databases
84596	ChemSpider
HMDB0253138	HMDB