CHEBI:88764 - ethyl butyrate

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ChEBI Name ethyl butyrate
ChEBI ID CHEBI:88764
Definition A butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H12O2
Net Charge 0
Average Mass 116.159
Monoisotopic Mass 116.084
InChI InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
InChIKey OBNCKNCVKJNDBV-UHFFFAOYSA-N
SMILES CCCC(=O)OCC
Metabolite of Species Details
Physalis peruviana (NCBI:txid126903) Found in fruit (BTO:0000486). See: PubMed
Citrus sinensis (NCBI:txid2711) Found in fruit (BTO:0000486). See: PubMed
Mangifera indica (NCBI:txid29780) Found in ripe fruit (PO:0007038). See: PubMed
Solanum betaceum (NCBI:txid45843) Found in fruit (BTO:0000486). See: PubMed
Passiflora edulis (NCBI:txid78168) Found in fruit (BTO:0000486). See: PubMed
Ribes nigrum (NCBI:txid78511) Found in fruit (BTO:0000486). See: PubMed
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing ethyl butyrate (CHEBI:88764) has functional parent ethanol (CHEBI:16236)
ethyl butyrate (CHEBI:88764) has role plant metabolite (CHEBI:76924)
ethyl butyrate (CHEBI:88764) is a butyrate ester (CHEBI:50477)
IUPAC Name
ethyl butanoate
Synonyms Sources
Butanoic acid ethyl ester HMDB
Butyric acid ethyl ester HMDB
Ethyl 1-butyrate HMDB
ethyl butanoate UniProt
Ethyl ester of butanoic acid HMDB
Ethyl n-butanoate NIST Chemistry WebBook
Ethyl n-butyrate ChemIDplus
n-Butyric acid ethyl ester NIST Chemistry WebBook
Manual Xrefs Databases
C00050446 KNApSAcK
Ethyl_butyrate Wikipedia
HMDB0033889 HMDB
US6153246 Patent
View more database links
Registry Numbers Types Sources
105-54-4 CAS Registry Number NIST Chemistry WebBook
105-54-4 CAS Registry Number ChemIDplus
506331 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
06 November 2017