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CHEBI:89725 - Propyl 3-methylbutanoate

ChEBI IDCHEBI:89725
ChEBI NamePropyl 3-methylbutanoate
Stars
DownloadsMolfile
FormulaC8H16O2
Net Charge0
Average Mass144.214
Monoisotopic Mass144.11503
SMILESCCCOC(=O)CC(C)C
InChIInChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChIKeyLSJMDWFAADPNAX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (23454028)
ChEBI Ontology
Outgoing Relation(s)
Propyl 3-methylbutanoate (CHEBI:89725) is a fatty acid ester (CHEBI:35748)
Synonyms  Source
3-Methylbutanoic acid, propyl esterHMDB
Butanoic acid, 3-methyl-, propyl esterHMDB
Butanoic acid, 3-methyl-, propyl ester (9CI)HMDB
FEMA 2960HMDB
Isovaleric acid, propyl esterHMDB
N-Propyl iso-valerateHMDB
Manual XrefsDatabases
HMDB0032047HMDB
Registry NumbersSources
CAS:557-00-6KEGG COMPOUND
Citations