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CHEBI:89718 - Isopropyl butyrate

ChEBI IDCHEBI:89718
ChEBI NameIsopropyl butyrate
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCCCC(=O)OC(C)C
InChIInChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
InChIKeyFFOPEPMHKILNIT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (23454028)
ChEBI Ontology
Outgoing Relation(s)
Isopropyl butyrate (CHEBI:89718) is a fatty acid ester (CHEBI:35748)
Isopropyl butyrate (CHEBI:89718) is a isopropyl ester (CHEBI:35725)
Synonyms  Source
1-Methylethyl butanoateHMDB
Butanoic acid, 1-methylethyl esterHMDB
N-C3H7C(O)OCH(CH3)2HMDB
Isopropyl N-butyrateHMDB
FEMA 2935HMDB
Isopropyl butyrate [UN2405] [Flammable liquid]HMDB
Manual XrefsDatabases
HMDB0039619HMDB
Registry NumbersSources
CAS:638-11-9KEGG COMPOUND
Citations