3-Hydroxy-3-methylglutaric acid

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

ID: Reference229

Other Names: β-Hydroxy-β-methylglutaric acid;
Glutaric acid, 3-hydroxy-3-methyl-;
Pentanedioic acid, 3-hydroxy-3-methyl-;
β-Hydroxy-β-methylglutarate;
3-Hydroxymethylglutarate ; more

Formula: C6H10O5

Class: Endogenous Metabolites

Spectral Data

3-Hydroxy-3-methylglutaric 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 158
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/26/2014 11:58:35 AM
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Identificators

InChI InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
InChI Key NPOAOTPXWNWTSH-UHFFFAOYSA-N
Canonical SMILES CC(CC(=O)O)(CC(=O)O)O
CAS 503491
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Other Names β-Hydroxy-β-methylglutaric acid;
Glutaric acid, 3-hydroxy-3-methyl-;
Pentanedioic acid, 3-hydroxy-3-methyl-;
β-Hydroxy-β-methylglutarate;
3-Hydroxymethylglutarate;
3-Hydroxymethylglutaric acid;
3-Methyl-3-hydroxyglutarate;
3-Methyl-3-hydroxyglutaric acid;
Dicrotalic acid;
Lipoglutaren;
HMGA;
Medroglutaric acid;
Dicrotalate

In Other Databases

ChemIDPlus 000503491
KEGG C03761; D04897
ChEBI CHEBI:16831
Wikipedia Meglutol
HMDb HMDB00355
PubChem 1662
ChEMBL CHEMBL50444
ChemSpider 1600