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CHEBI:89832 - Methyl 3-methylbutanoate

ChEBI IDCHEBI:89832
ChEBI NameMethyl 3-methylbutanoate
Stars
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCOC(=O)CC(C)C
InChIInChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKeyOQAGVSWESNCJJT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (23454028)
ChEBI Ontology
Outgoing Relation(s)
Methyl 3-methylbutanoate (CHEBI:89832) is a fatty acid ester (CHEBI:35748)
Synonyms  Source
3-Methyl-2-oxobutanoic acidHMDB
3-Methylbutanoic acid methyl esterHMDB
Butanoic acid, 3-methyl-, methyl esterHMDB
FEMA 2753HMDB
Isovaleric acid, methyl esterHMDB
methyl 3-methylbutanoateHMDB
Manual XrefsDatabases
HMDB0030027HMDB
Registry NumbersSources
CAS:556-24-1KEGG COMPOUND
Citations