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CHEBI:89827 - Isopropyl propionate

ChEBI IDCHEBI:89827
ChEBI NameIsopropyl propionate
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCCC(=O)OC(C)C
InChIInChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
InChIKeyIJMWOMHMDSDKGK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (23454028)
ChEBI Ontology
Outgoing Relation(s)
Isopropyl propionate (CHEBI:89827) has functional parent propionic acid (CHEBI:30768)
Isopropyl propionate (CHEBI:89827) is a isopropyl ester (CHEBI:35725)
Synonyms  Source
Isopropyl ester of propanoic acidHMDB
Propionic acid isopropyl esterHMDB
Propanoic acid, 1-methylethyl esterHMDB
FEMA 2959HMDB
Iso-propyl propanoateHMDB
1-Methylethyl propanoateHMDB
Manual XrefsDatabases
HMDB0030056HMDB
Registry NumbersSources
CAS:637-78-5KEGG COMPOUND
Citations