3-Methyl-1-adamantanecarboxylic acid (CHEBI:229358)

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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	3-Methyl-1-adamantanecarboxylic acid

ChEBI ID	CHEBI:229358

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/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)

InChIKey

XKTXEVJPJZIGGL-UHFFFAOYSA-N

SMILES

OC(=O)C12CC3(CC(C1)CC(C3)C2)C

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). 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	3-Methyl-1-adamantanecarboxylic acid (CHEBI:229358) is a carboxylic acid (CHEBI:33575)

IUPAC Name

3-methyladamantane-1-carboxylic acid