2-Oxobutyric acid

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Systematic / IUPAC Name: 2-Oxobutanoic acid

ID: Reference180

Other Names: 3-Methylpyruvic acid;
Pyruvic acid, methyl-;
3-Methylpyruvate;
2-Ketobutyric acid;
α-Ketobutyric acid ; more

Formula: C4H6O3

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

2-Oxobutyric 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 72
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/9/2015 2:53:39 PM
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Identificators

InChI InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
InChI Key TYEYBOSBBBHJIV-UHFFFAOYSA-N
Canonical SMILES CCC(=O)C(=O)O
CAS 600180
Splash
Other Names 3-Methylpyruvic acid;
Pyruvic acid, methyl-;
3-Methylpyruvate;
2-Ketobutyric acid;
α-Ketobutyric acid;
Butanoic acid, 2-oxo-;
Butyric acid, 2-oxo-;
α-Oxo-n-butyric acid;
2-Ketobutanoic acid;
α-Oxobutyric acid;
2-Oxo-n-butyric acid;
α-Ketobutyrate;
α-Keto-n-butyric acid;
α-Ketobutric acid;
α-Oxobutyrate;
2-Ketobutanoate;
2-Oxo-n-butyrate;
α-Oxo-n-butyrate;
α-Keto-n-butyrate

In Other Databases

ChemIDPlus 002013265; 000600180; 099488752
ChemSpider 57
PubChem 58
KEGG C00109
ChEMBL CHEMBL171246
Wikipedia Alpha-Ketobutyric acid
ChEBI CHEBI:30831
HMDb HMDB06544; HMDB06544; HMDB00005
LipidsMAPs LMFA01060002