2-Methyladipic acid (CHEBI:173691)

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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-Methyladipic acid

ChEBI ID	CHEBI:173691

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H12O4

Net Charge

Average Mass

160.169

Monoisotopic Mass

160.07356

InChI

InChI=1S/C7H12O4/c1-5(7(10)11)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)

InChIKey

JZUMVFMLJGSMRF-UHFFFAOYSA-N

SMILES

OC(=O)C(CCCC(O)=O)C

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-Methyladipic acid (CHEBI:173691) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

2-methylhexanedioic acid