EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:171935 - Butyl levulinate

Default Structure
ChEBI IDCHEBI:171935
ChEBI NameButyl levulinate
Stars
Last Modified13 March 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILESCCCCOC(=O)CCC(C)=O
InChIInChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
InChIKeyISBWNEKJSSLXOD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Butyl levulinate (CHEBI:171935) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
butyl 4-oxopentanoate
Synonym  Source
OI1695000ChEBI
Manual XrefsDatabases
15496ChemSpider
HMDB0040165HMDB
Registry NumbersSources
CAS:2052-15-5ChemIDplus