2-Carboxy-5,7-dimethyl-4-octanolide (CHEBI:172310)

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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-Carboxy-5,7-dimethyl-4-octanolide

ChEBI ID	CHEBI:172310

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/c1-6(2)4-7(3)9-5-8(10(12)13)11(14)15-9/h6-9H,4-5H2,1-3H3,(H,12,13)

InChIKey

FEFSWWMYJINUMK-UHFFFAOYSA-N

SMILES

O1C(C(CC(C)C)C)CC(C1=O)C(O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	2-Carboxy-5,7-dimethyl-4-octanolide (CHEBI:172310) is a γ-lactone (CHEBI:37581)

IUPAC Name

5-(4-methylpentan-2-yl)-2-oxooxolane-3-carboxylic acid