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CHEBI:88764 - ethyl butyrate

Default Structure
ChEBI IDCHEBI:88764
ChEBI Nameethyl butyrate
Stars
DefinitionA butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid.
Last Modified6 November 2017
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCCCC(=O)OCC
InChIInChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
InChIKeyOBNCKNCVKJNDBV-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Citrus sinensis (ncbitaxon:2711) fruit (BTO:0000486) PubMed (28285516)
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (19167006)
Mangifera indica (ncbitaxon:29780) ripe fruit (PO:0007038) PubMed (27167034)
Passiflora edulis (ncbitaxon:78168) fruit (BTO:0000486) PubMed (28740317)
Physalis peruviana (ncbitaxon:126903) fruit (BTO:0000486) PubMed (27440155)
Ribes nigrum (ncbitaxon:78511) fruit (BTO:0000486) PubMed (28992408)
Solanum betaceum (ncbitaxon:45843) fruit (BTO:0000486) PubMed (27999263)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Butanoic acid ethyl esterHMDB
Butyric acid ethyl esterHMDB
Ethyl 1-butyrateHMDB
Ethyl ester of butanoic acidHMDB
Ethyl n-butanoateNIST Chemistry WebBook
Ethyl n-butyrateChemIDplus
UniProt Name  Source
ethyl butanoateUniProt
Manual XrefsDatabases
C00050446KNApSAcK
Ethyl_butyrateWikipedia
HMDB0033889HMDB
US6153246Patent
Registry NumbersSources
Reaxys:506331Reaxys
CAS:105-54-4NIST Chemistry WebBook
CAS:105-54-4ChemIDplus
Citations