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CHEBI:89723 - Butyl 3-methylbutanoate

ChEBI IDCHEBI:89723
ChEBI NameButyl 3-methylbutanoate
Stars
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCOC(=O)CC(C)C
InChIInChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyAYWJSCLAAPJZEF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (23454028)
ChEBI Ontology
Outgoing Relation(s)
Butyl 3-methylbutanoate (CHEBI:89723) is a fatty acid ester (CHEBI:35748)
Synonyms  Source
1-Butyl isovalerateHMDB
Butanoic acid, 3-methyl-, butyl esterHMDB
butyl 3-methylbutanoateHMDB
Butyl 3-methylbutyrateHMDB
Butyl isopentanoateHMDB
Butyl isovalerateHMDB
Manual XrefsDatabases
HMDB0032042HMDB
Registry NumbersSources
CAS:109-19-3KEGG COMPOUND
Citations