3-Hydroxy-3-methylbutanoic acid

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Systematic / IUPAC Name: 3-Hydroxy-3-methylbutanoic acid

ID: Reference196

Other Names: β-Hydroxyisovaleric acid;
3-Hydroxy-3-methylbutyric acid;
3-Hydroxyisovaleric acid;
β-Hydroxy-β-methylbutyrate;
β-Hydroxy-β-methylbutyric acid ; more

Formula: C5H10O3

Class: Endogenous Metabolites

Spectral Data

3-Hydroxy-3-methylbutanoic 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 2
No. of Spectra 304
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/19/2014 8:27:33 AM
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Identificators

InChI InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
InChI Key AXFYFNCPONWUHW-UHFFFAOYSA-N
Canonical SMILES CC(C)(CC(=O)O)O
CAS 625081
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Other Names β-Hydroxyisovaleric acid;
3-Hydroxy-3-methylbutyric acid;
3-Hydroxyisovaleric acid;
β-Hydroxy-β-methylbutyrate;
β-Hydroxy-β-methylbutyric acid;
3-Hydroxy-3-methyl butanoic acid;
3-Hydroxy-3-methylbutanoate;
3-Hydroxyisovalerate;
β-Hydroxyisovalerate;
3-Hydroxy-3-methylbutyrate;
Butyric acid, 3-hydroxy-3-methyl-;
Butanoic acid, 3-hydroxy-3-methyl-

In Other Databases

Wikipedia Beta-Hydroxy beta-methylbutyric acid
ChemSpider 62571
PubChem 69362
ChEBI CHEBI:37084
ChemIDPlus 000625081
HMDb HMDB00754