2-Methylglutaric acid

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Systematic / IUPAC Name: 2-Methylpentanedioic acid

ID: Reference139

Other Names: Pentanedioic acid, 2-methyl-;
α-Methylglutaric acid;
Glutaric acid, 2-methyl-;
2-Methylglutarate;
α-Methylglutarate

Formula: C6H10O4

Class: Endogenous Metabolites

Spectral Data

2-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 145
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 11/6/2014 11:12:53 AM
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Identificators

InChI InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChI Key AQYCMVICBNBXNA-UHFFFAOYSA-N
Canonical SMILES CC(CCC(=O)O)C(=O)O
CAS 18069175
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Other Names Pentanedioic acid, 2-methyl-;
α-Methylglutaric acid;
Glutaric acid, 2-methyl-;
2-Methylglutarate;
α-Methylglutarate

In Other Databases

ChemIDPlus 000617629; 018069175
ChEMBL CHEMBL1971317
PubChem 12046
ChemSpider 11549
ChEBI CHEBI:68567
HMDb HMDB00422; HMDB00422; HMDB00752
KEGG C05282