Monomethyl glutarate

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Systematic / IUPAC Name: 5-Methoxy-5-oxopentanoic acid

ID: Reference13985

Other Names: Monomethyl glutaric acid;
AA-4629

Formula: C6H10O4

Class: Endogenous Metabolites

Spectral Data

Monomethyl glutarate 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 726
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/8/2026 11:14:40 AM
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Identificators

InChI InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChI Key IBMRTYCHDPMBFN-UHFFFAOYSA-N
Canonical SMILES COC(=O)CCCC(=O)O
CAS
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Other Names Monomethyl glutaric acid;
AA-4629

In Other Databases

HMDb HMDB0000858; HMDB0000858
ChEBI CHEBI:86396
ChemSpider 66550
PubChem 73917; 73917
ChEMBL CHEMBL1483438