EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88964 - Butyl 2-methylbutanoate

ChEBI IDCHEBI:88964
ChEBI NameButyl 2-methylbutanoate
Stars
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCOC(=O)C(C)CC
InChIInChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3
InChIKeyOTKQNSSMCDLVQV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (23454028)
ChEBI Ontology
Outgoing Relation(s)
Butyl 2-methylbutanoate (CHEBI:88964) is a fatty acid ester (CHEBI:35748)
Synonyms  Source
alpha-Butyl 2-methylbutylateHMDB
Butanoic acid, 2-methyl-, butyl esterHMDB
butyl 2-methylbutanoateHMDB
Butyl 2-methylbutyrateHMDB
BUTYL-2-METHYLBUTYRATEHMDB
Butyric acid, 2-methyl-, butyl esterHMDB
Manual XrefsDatabases
HMDB0039216HMDB
Registry NumbersSources
CAS:15706-73-7KEGG COMPOUND
Citations