propyl butyrate (CHEBI:89719)

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ChEBI Name	propyl butyrate

ChEBI ID	CHEBI:89719

Definition	A butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C7H14O2

Net Charge

Average Mass

130.185

Monoisotopic Mass

130.09938

InChI

InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3

InChIKey

HUAZGNHGCJGYNP-UHFFFAOYSA-N

SMILES

CCCC(=O)OCCC

Metabolite of Species	Details
Phoenix canariensis (NCBI:txid113250)	See: PubMed
Malus domestica (NCBI:txid3750)	See: DOI
Spondias mombin (NCBI:txid80338)	Found in ripe fruit (PO:0007038). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. insect attractant A chemical that attracts insects.

ChEBI Ontology
Outgoing	propyl butyrate (CHEBI:89719) has functional parent propan-1-ol (CHEBI:28831) propyl butyrate (CHEBI:89719) has role human metabolite (CHEBI:77746) propyl butyrate (CHEBI:89719) has role insect attractant (CHEBI:24850) propyl butyrate (CHEBI:89719) has role plant metabolite (CHEBI:76924) propyl butyrate (CHEBI:89719) is a butyrate ester (CHEBI:50477)

IUPAC Name

propyl butanoate

Synonyms	Sources
1-Propyl butyrate	ChemIDplus
Butanoic acid, propyl ester	ChemIDplus
Butyric acid, propyl ester	HMDB
n-butyric acid n-propyl ester	HMDB
n-Propanol butyrate	NIST Chemistry WebBook
n-propyl butyrate	HMDB
n-propyl n-butyrate	HMDB
n-propyl-n-butanoate	HMDB
propyl butanoate	UniProt
Propyl butanoate	HMDB
Propyl ester of butanoic acid	HMDB
Propyl n-butyrate	HMDB

Last Modified

03 November 2017