Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester (CHEBI:229355)

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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	Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester

ChEBI ID	CHEBI:229355

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H24O3

Net Charge

Average Mass

216.321

Monoisotopic Mass

216.17254

InChI

InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3

InChIKey

DAFHKNAQFPVRKR-UHFFFAOYSA-N

SMILES

OC(C(COC(=O)C(C)C)(C)C)C(C)C

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study

ChEBI Ontology
Outgoing	Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester (CHEBI:229355) is a carboxylic ester (CHEBI:33308)

IUPAC Name

(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate