CHEBI:89831 - Butyl propionate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Butyl propionate
ChEBI ID CHEBI:89831
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C7H14O2
Net Charge 0
Average Mass 130.185
Monoisotopic Mass 130.099
InChI InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
InChIKey BTMVHUNTONAYDX-UHFFFAOYSA-N
SMILES O(CCCC)C(CC)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
ChEBI Ontology
Outgoing Butyl propionate (CHEBI:89831) is a carboxylic ester (CHEBI:33308)
IUPAC Name
butyl propanoate
Synonyms Sources
Butyl ester of propanoic acid HMDB
Butyl propanoate HMDB
Butyl propionate [UN1914] [Flammable liquid] HMDB
FEMA 2211 HMDB
N-Butyl N-propionate HMDB
N-Butyl propanoate HMDB
N-Butyl propionate HMDB
Propanoic acid, butyl ester HMDB
Propionic acid, butyl ester HMDB
Manual Xref Database
HMDB0030052 HMDB
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Registry Number Type Source
590-01-2 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
11032424 PubMed citation Europe PMC
17314143 PubMed citation Europe PMC