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

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

ChEBI ID	CHEBI:173168

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H18O4

Net Charge

Average Mass

214.261

Monoisotopic Mass

214.12051

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

SMILES

OC(=O)CC1(CC(CCC1)C)CC(O)=O

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in feces (BTO:0000440). of strain [] See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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