Butyl levulinate (CHEBI:171935)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Butyl levulinate

ChEBI ID	CHEBI:171935

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H16O3

Net Charge

Average Mass

172.224

Monoisotopic Mass

172.10994

InChI

InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3

InChIKey

ISBWNEKJSSLXOD-UHFFFAOYSA-N

SMILES

O(CCCC)C(=O)CCC(=O)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Butyl levulinate (CHEBI:171935) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name

butyl 4-oxopentanoate

Synonym	Source
OI1695000	ChEBI

Registry Number	Type	Source
2052-15-5	CAS Registry Number	ChemIDplus

Last Modified

13 March 2023