Citramalic acid

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Systematic / IUPAC Name: 2-Hydroxy-2-methylbutanedioic acid

ID: Reference13738

Other Names: (+-)-Citramalic acid

Formula: C5H8O5

Class: Endogenous Metabolites

Spectral Data

Citramalic 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 235
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/27/2026 12:00:18 PM
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Identificators

InChI InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)
InChI Key XFTRTWQBIOMVPK-UHFFFAOYSA-N
Canonical SMILES CC(O)(CC(=O)O)C(=O)O
CAS
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Other Names (+-)-Citramalic acid

In Other Databases

ChEBI CHEBI:15584
PubChem 1081; 1081
HMDb HMDB0000426; HMDB0000426; HMDB0000426; HMDB0000426; HMDB00426
KEGG C00815
ChemSpider 1051