CHEBI:89832 - Methyl 3-methylbutanoate

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ChEBI Name Methyl 3-methylbutanoate ChEBI ID CHEBI:89832 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H12O2 Net Charge 0 Average Mass 116.159 Monoisotopic Mass 116.08373 InChI InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 InChIKey OQAGVSWESNCJJT-UHFFFAOYSA-N SMILES CC(C)CC(=O)OC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing Methyl 3-methylbutanoate (CHEBI:89832) is a fatty acid ester (CHEBI:35748) Synonyms Sources 3-Methyl-2-oxobutanoic acid HMDB 3-Methylbutanoic acid methyl ester HMDB Butanoic acid, 3-methyl-, methyl ester HMDB FEMA 2753 HMDB Isovaleric acid, methyl ester HMDB methyl 3-methylbutanoate HMDB Methyl 3-methylbutyrate HMDB Methyl isopentanoate HMDB Methyl isovalerate HMDB Methyl isovalerate [UN2400] [Flammable liquid] HMDB Methyl isovalerianate HMDB Manual Xref Database HMDB0030027 HMDB View more database links Registry Number Type Source 556-24-1 CAS Registry Number KEGG COMPOUND Citation Type Source 23454028 PubMed citation Europe PMC