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Details of Levulinic acid

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Role	Metabolite
MPIMP ID	M001240
stereoisomer
isotopomer	ambient
formula	C5H8O3
molecular mass	116.115
monoisotopic mass	116.04735
InChI	InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey	JOOXCMJARBKPKM-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27ebbe8b5f-109c-4335-99cf-223f0947e86e%27)

Synonyms of Levulinic acid

property	value
CAS	123-76-2
ChEBI ID	CHEBI:45630
ChEBI ontology	is a oxopentanoic acid
ChEBI ontology	is a straight-chain saturated fatty acid anion
ChEBI ontology	is conjugate acid of 4-oxopentanoate
ChemSpider ID	11091
synonym	3-acetylpropionic acid
synonym	3-ketobutane-1-carboxylic acid
synonym	4-ketovaleric acid
synonym	4-Oxopentanoic acid
19 synonym(s)
Page of 2 Results per page:

Derivatives of Levulinic acid

analyte	stereoisomer	isotopomer
Levulinic acid (1MEOX) (1TMS) BP		ambient
Levulinic acid (1MEOX) (1TMS) MP		ambient
2 analyte(s)

Reference substances of Levulinic acid

reference substance	supplier	supplier code	lot
Levulinic acid	TCI	L0042
Levulinic acid	Aldrich	L2009	STBB1813
2 reference substance(s)

Isotopomers and stereoisomers of Levulinic acid

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Levulinic acid Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative Levulinic acid Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 9/14/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 9/6/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Fehrle I., Kopka J., Hummel J.

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