2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid (CHEBI:173168)

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CHEBI:173168 - 2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid

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ChEBI ID	CHEBI:173168
ChEBI Name	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H18O4
Net Charge	0
Average Mass	214.261
Monoisotopic Mass	214.12051
SMILES	CC1CCCC(CC(=O)O)(CC(=O)O)C1
InChI	InChI=1S/C11H18O4/c1-8-3-2-4-11(5-8,6-9(12)13)7-10(14)15/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKey	HJPDHTDUPWGUHP-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Rattus norvegicus (ncbitaxon:10116)	feces (BTO:0000440)	MetaboLights (MTBLS2721)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid (CHEBI:173168) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
2-[1-(carboxymethyl)-3-methylcyclohexyl]acetic acid

Manual Xrefs	Databases
191104	ChemSpider