Levulinic acid

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Systematic / IUPAC Name: 4-Oxopentanoic acid

ID: Reference6566

Other Names: Acidum laevulinicum;
Laevulic acid;
Laevulinic acid;
LEVA;
Levulic acid ; more

Formula: C5H8O3

Class: Endogenous Metabolites Extractables/Leachables Excipients/Additives/Colorants Industrial Chemicals

Spectral Data

Levulinic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/18/2017 8:18:50 AM
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Identificators

InChI InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key JOOXCMJARBKPKM-UHFFFAOYSA-N
Canonical SMILES CC(=O)CCC(=O)O
CAS 123762
Splash
Other Names Acidum laevulinicum;
Laevulic acid;
Laevulinic acid;
LEVA;
Levulic acid;
β-Acetylpropionic acid;
γ-Ketovaleric acid;
3-Acetylpropionic acid;
3-Ketobutane-1-carboxylic acid;
4-Ketovaleric acid;
4-Oxo-pentanoic acid;
4-Oxovaleric acid;
Acetopropionic acid;
b-Acetylpropionic acid;
Pentanoic acid, 4-oxo-;
Propionic acid, 3-acetyl-;
Valeric acid, 4-oxo-

In Other Databases

PubChem 11579
HMDb HMDB00720
Wikipedia Levulinic acid
ChemIDPlus 000591640; 000123762; 023292855; 019856236; 065840406; 058505810
ChemSpider 11091
ChEBI CHEBI:45630
LipidsMAPs LMFA01060006
ChEMBL CHEMBL1235931
DrugBank DB02239