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Details of Isovaleric acid, 2-oxo-

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Role	Metabolite
MPIMP ID	M001783
stereoisomer
isotopomer	ambient
formula	C5H8O3
molecular mass	116.115
monoisotopic mass	116.04735
InChI	InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
InChIKey	QHKABHOOEWYVLI-UHFFFAOYSA-N
class	Acid (Oxo)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%279131ea12-7229-4467-b548-60787fd0b557%27)

Synonyms of Isovaleric acid, 2-oxo-

property	value
Beilstein	1744951
BRENDA	36337
CAS	759-05-7
ChEBI ID	ChEBI:16530
ChEBI ontology	has functional parent butyric acid
ChEBI ontology	has role secondary metabolite
ChEBI ontology	is a 2-oxo monocarboxylic acid
ChEBI ontology	is a branched-chain fatty acid
ChEBI ontology	is a oxo fatty acid
ChEBI ontology	is a short-chain fatty acid
31 synonym(s)
Page of 4 Results per page:

Derivatives of Isovaleric acid, 2-oxo-

analyte	stereoisomer	isotopomer
Isovaleric acid, 2-oxo- (1MEOX) (1TMS) BP		ambient
Isovaleric acid, 2-oxo- (1MEOX) (1TMS) MP		ambient
2 analyte(s)

Reference substances of Isovaleric acid, 2-oxo-

reference substance	supplier	supplier code	lot
alpha-ketoisovaleric acid sodium salt	Aldrich	198994
alpha-ketoisovaleric acid sodium salt	Fluka	68253	12331/1 43502
alpha-ketoisovaleric acid sodium salt	Sigma	K0128	124H3481
3 reference substance(s)

Isotopomers and stereoisomers of Isovaleric acid, 2-oxo-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Isovaleric acid, 2-oxo- 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 Isovaleric acid, 2-oxo- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 8/29/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 12/19/2012 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J., Kopka J.

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