EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88538 - Methyl (S)-2-Methylbutanoate

ChEBI IDCHEBI:88538
ChEBI NameMethyl (S)-2-Methylbutanoate
Stars
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCCC(C)C(=O)OC
InChIInChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKeyOCWLYWIFNDCWRZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (23454028)
ChEBI Ontology
Outgoing Relation(s)
Methyl (S)-2-Methylbutanoate (CHEBI:88538) is a fatty acid ester (CHEBI:35748)
Synonyms  Source
Butanoic acid, 2-methyl-, methyl ester, (plusmn)-HMDB
FEMA 2719HMDB
methyl 2-methylbutanoateHMDB
Methyl 2-methylbutyrateHMDB
Manual XrefsDatabases
HMDB0029762HMDB
Registry NumbersSources
CAS:53955-81-0KEGG COMPOUND
Citations