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Details of Butanoic acid, 4-methylthio-2-oxo-

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Role	Metabolite
MPIMP ID	M000923
stereoisomer
isotopomer	ambient
formula	C5H8O3S
molecular mass	148.182
monoisotopic mass	148.01942
InChI	InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey	SXFSQZDSUWACKX-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27bdbe5218-ef11-4f3e-94dd-6891bac49a24%27)

Synonyms of Butanoic acid, 4-methylthio-2-oxo-

property	value
BRENDA	21190
ChEBI ID	ChEBI:33574
ChEBI ontology	has functional parent butyric acid
ChEBI ontology	is a 2-oxo monocarboxylic acid
ChEBI ontology	is a short-chain fatty acid
ChEBI ontology	is a straight-chain saturated fatty acid
ChEBI ontology	is a sulfur-containing carboxylic acid
ChEBI ontology	is conjugate acid of 4-methylthio-2-oxobutanoate
ChemSpider ID	460
PubChem CID	473
16 synonym(s)
Page of 2 Results per page:

Derivatives of Butanoic acid, 4-methylthio-2-oxo-

analyte	stereoisomer	isotopomer
Butanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) MP		ambient
Butanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) BP		ambient
2 analyte(s)

Reference substances of Butanoic acid, 4-methylthio-2-oxo-

reference substance	supplier	supplier code	lot
alpha-keto-gamma-methiolbutyric acid sodium salt	Sigma	K6000	54H7005
alpha-keto-gamma-methiolbutyric acid sodium salt	Sigma	K6000	064K7036
2 reference substance(s)

Isotopomers and stereoisomers of Butanoic acid, 4-methylthio-2-oxo-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Butanoic acid, 4-methylthio-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 Butanoic acid, 4-methylthio-2-oxo- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/9/2009 by Strehmel N., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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