3-Methylglutaric acid

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Systematic / IUPAC Name: 3-Methylpentanedioic acid

ID: Reference211

Other Names: Methylglutaric acid;
β-Methylglutaric acid;
Pentanedioic acid, 3-methyl-;
3-Methylpentanedioate;
Methylglutarate ; more

Formula: C6H10O4

Class: Endogenous Metabolites

Spectral Data

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; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 220
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/20/2014 10:48:41 AM
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Identificators

InChI InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChI Key XJMMNTGIMDZPMU-UHFFFAOYSA-N
Canonical SMILES CC(CC(=O)O)CC(=O)O
CAS 626517
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Other Names Methylglutaric acid;
β-Methylglutaric acid;
Pentanedioic acid, 3-methyl-;
3-Methylpentanedioate;
Methylglutarate;
3-Methylglutarate;
β-Methylglutarate;
3-Methyl glutaric acid;
3-Methylpentane-1,5-dioic acid

In Other Databases

PubChem 12284
ChEBI CHEBI:68566
ChemSpider 11781
HMDb HMDB00752
ChemIDPlus 000626517