Marvin  11220615062D          

  6  5  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  3  6  2  0  0  0  0
  5  3  1  0  0  0  0
  4  1  2  0  0  0  0
M  CHG  1   2  -1
M  END
> <ID>
CHEBI:15361

> <NAME>
pyruvate

> <DEFINITION>
A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14987; CHEBI:26462

> <SYNONYM>
pyruvate; 2-oxopropanoic acid, ion(1-); 2-oxopropanoate

> <IUPAC_NAME>
2-oxopropanoate

> <FORMULA>
C3H3O3

> <MASS>
87.05412

> <MONOISOTOPIC_MASS>
87.00877

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1

> <INCHIKEY>
LCTONWCANYUPML-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3587721

> <CAS_REGISTRY_NUMBER>
57-60-3

> <GMELIN_REGISTRY_NUMBER>
2502

> <REAXYS_REGISTRY_NUMBER>
3587721

> <CHEMIDPLUS>
57-60-3

> <KEGG_COMPOUND_ACCESSION>
C00022

> <PUBMED_CITATION>
17190852; 21603897; 21823181; 21854850; 22006570; 22016370; 22215378; 22311625; 22451307; 22458763

$$$$