2-Keto-4-methylthiobutyric acid

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Systematic / IUPAC Name: 4-Methylsulfanyl-2-oxobutanoic acid

ID: Reference178

Other Names: 4-Methylthio-2-oxobutanoate;
α-Oxo-Υ-methylthiobutyric acid;
4-(Methylsulfanyl)-2-oxobutanoic acid;
Butanoic acid, 4-(methylthio)-2-oxo-;
2-Oxo-4-methylthiobutanoic acid ; more

Formula: C5H8O3S

Class: Endogenous Metabolites

Spectral Data

2-Keto-4-methylthiobutyric 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 Elite
No. of Spectral Trees 1
No. of Spectra 128
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/13/2014 2:17:54 PM
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Identificators

InChI InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key SXFSQZDSUWACKX-UHFFFAOYSA-N
Canonical SMILES CSCCC(=O)C(=O)O
CAS 583926
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Other Names 4-Methylthio-2-oxobutanoate;
α-Oxo-Υ-methylthiobutyric acid;
4-(Methylsulfanyl)-2-oxobutanoic acid;
Butanoic acid, 4-(methylthio)-2-oxo-;
2-Oxo-4-methylthiobutanoic acid;
2-Keto-4-methylthiobutyrate;
2-Oxo-4-methylthiobutanoate;
4-Methylthio-2-oxobutyrate;
4-Methylthio-2-ketobutyrate;
4-Methylthio-2-ketobutanoate;
2-Ketothiomethylbutyric acid;
2-Keto-4-thiomethylbutyrate;
2-Oxo-4-thiomethylbutyric acid;
4-Methylthio-2-ketobutyric acid;
2-Keto-4-methylthiobutanoic acid;
4-(Methylthio)-2-oxobutanoic acid;
Keto-4-methylthiobutyrate;
Butyric acid, 4-(methylthio)-2-oxo-;
2-Ketomethiobutyrate;
KMTB;
KMT;
Ketomethiobutyrate;
Ketomethiobutyric acid

In Other Databases

HMDb HMDB01553
PubChem 473
KEGG C01180
ChemIDPlus 000583926
ChEBI CHEBI:33574
ChemSpider 460