RefMet Compound Details

MW structure51926 (View MW Metabolite Database details)
RefMet nameCitramalic acid
Systematic name2-hydroxy-2-methylbutanedioic acid
SMILESC[C@@](O)(CC(O)=O)C(O)=O
Exact mass148.037175 (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
FormulaC5H8O5View other entries in RefMet with this formula
InChIInChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m0/s1
InChIKeyXFTRTWQBIOMVPK-YFKPBYRVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassHydroxy acids
Sub ClassBeta hydroxy acids
Pubchem CID441696
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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