propyl propionate (CHEBI:89828)

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ChEBI Name	propyl propionate

ChEBI ID	CHEBI:89828

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

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

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Formula

C6H12O2

Net Charge

Average Mass

116.159

Monoisotopic Mass

116.08373

InChI

InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3

InChIKey

MCSINKKTEDDPNK-UHFFFAOYSA-N

SMILES

CCCOC(CC)=O

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	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). rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

Application(s):	biomarker A substance used as an indicator of a biological state.

ChEBI Ontology
Outgoing	propyl propionate (CHEBI:89828) has functional parent propan-1-ol (CHEBI:28831) propyl propionate (CHEBI:89828) has role biomarker (CHEBI:59163) propyl propionate (CHEBI:89828) has role fungal metabolite (CHEBI:76946) propyl propionate (CHEBI:89828) has role human metabolite (CHEBI:77746) propyl propionate (CHEBI:89828) has role rat metabolite (CHEBI:86264) propyl propionate (CHEBI:89828) is a propanoate ester (CHEBI:36243)

IUPAC Name

propyl propanoate

Synonyms	Sources
n-Propyl n-propionate	HMDB
n-Propyl propanoate	ChemIDplus
n-Propyl propionate	ChemIDplus
Propanoic acid, propyl ester	HMDB
Propionic acid n-propyl ester	NIST Chemistry WebBook
Propionic acid, propyl ester	HMDB
Propyl ester of propanoic acid	HMDB
propyl propanoate	UniProt

Last Modified

03 November 2017