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CHEBI:89857 - Propyl 2-methylpropanoate

ChEBI IDCHEBI:89857
ChEBI NamePropyl 2-methylpropanoate
Stars
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCCCOC(=O)C(C)C
InChIInChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3
InChIKeyAZFUASHXSOTBNU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (17314143)
saliva (UBERON:0001836) PubMed (24421258)
ChEBI Ontology
Outgoing Relation(s)
Propyl 2-methylpropanoate (CHEBI:89857) is a carboxylic ester (CHEBI:33308)
Synonyms  Source
FEMA 2936HMDB
Isobutyric acid N-propyl esterHMDB
Isobutyric acid, propyl esterHMDB
N-Propyl 2-methylpropanoateHMDB
N-Propyl-2-methylpropanoateHMDB
Propanoic acid, 2-methyl-, propyl esterHMDB
Manual XrefsDatabases
HMDB0036209HMDB
Registry NumbersSources
CAS:644-49-5KEGG COMPOUND
Citations