ChEBI
  Marvin  02141111472D          

 10  9  0  0  0  0            999 V2000
   12.0087   -3.4434    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.7232   -3.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4377   -3.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1522   -3.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8666   -3.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5811   -3.8559    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.8666   -2.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7232   -4.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9644   -2.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8444   -2.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  CHG  2   1  -1   6  -1
M  END
> <ID>
CHEBI:13997

> <NAME>
citramalate(2-)

> <DEFINITION>
A dicarboxylic acid dianion that is obtained by removal of a proton from both of the carboxylic acid groups of citramalic acid.

> <STAR>
3

> <SYNONYM>
citramalate; 2-methylmalate; 2-hydroxy-2-methylsuccinate

> <IUPAC_NAME>
2-hydroxy-2-methylbutanedioate

> <FORMULA>
C5H6O5

> <MASS>
146.09810

> <MONOISOTOPIC_MASS>
146.02262

> <CHARGE>
-2

> <SMILES>
CC(O)(CC([O-])=O)C([O-])=O

> <INCHI>
InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/p-2

> <INCHIKEY>
XFTRTWQBIOMVPK-UHFFFAOYSA-L

> <REAXYS_REGISTRY_NUMBER>
3944359

$$$$