RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0137020
RefMet name2-Methylcitric acid
Systematic name2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
SynonymsPubChem Synonyms
Exact mass206.042655 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC7H10O7View other entries in RefMet with this formula
Molecular descriptors
Molfile54263 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
InChIKeyYNOXCRMFGMSKIJ-WVBDSBKLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[C@H](C(=O)O)[C@](CC(=O)O)(C(=O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassCarboxylic acids
Sub ClassTricarboxylic acids
Distribution of 2-Methylcitric acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 2-Methylcitric acid
External Links
Pubchem CID439681
LIPID MAPSLMFA01050442
ChEBI ID30836
KEGG IDC02225
HMDB IDHMDB0000379
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo