CHEBI:173677 - Propyl levulinate

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ChEBI Name Propyl levulinate
ChEBI ID CHEBI:173677
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H14O3
Net Charge 0
Average Mass 158.197
Monoisotopic Mass 158.09429
InChI InChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3
InChIKey QOSMNYMQXIVWKY-UHFFFAOYSA-N
SMILES O(CCC)C(=O)CCC(=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Propyl levulinate (CHEBI:173677) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name
propyl 4-oxopentanoate
Manual Xrefs Databases
191778 ChemSpider
HMDB0041616 HMDB
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Registry Number Type Source
645-67-0 CAS Registry Number ChemIDplus