Marvin  11220615052D          

  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  0  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  END
> <ID>
CHEBI:32816

> <NAME>
pyruvic acid

> <DEFINITION>
A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45253; CHEBI:8685; CHEBI:26466

> <SYNONYM>
PYRUVIC ACID; Pyruvic acid; pyruvic acid; Pyroracemic acid; CH3COCOOH; BTS; Brenztraubensaeure; alpha-Oxopropionsaeure; alpha-ketopropionic acid; acide pyruvique; Acetylformic acid; acetylformic acid; 2-Oxopropionsaeure; 2-Oxopropansaeure; 2-Oxopropanoic acid; 2-oxopropanoic acid; 2-ketopropionic acid

> <IUPAC_NAME>
2-oxopropanoic acid

> <FORMULA>
C3H4O3

> <MASS>
88.06206

> <MONOISOTOPIC_MASS>
88.01604

> <CHARGE>
0

> <SMILES>
CC(=O)C(O)=O

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

> <INCHIKEY>
LCTONWCANYUPML-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
506211

> <CAS_REGISTRY_NUMBER>
127-17-3

> <GMELIN_REGISTRY_NUMBER>
101087

> <REAXYS_REGISTRY_NUMBER>
506211

> <CHEMIDPLUS>
127-17-3

> <DRUGBANK_ACCESSION>
DB00119

> <ECMDB_ACCESSION>
ECMDB00243

> <KEGG_COMPOUND_ACCESSION>
C00022

> <KNAPSACK_ACCESSION>
C00001200

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01060077

> <METACYC_ACCESSION>
PYRUVATE

> <NIST_CHEMISTRY_WEBBOOK>
127-17-3

> <PDBECHEM_ACCESSION>
PYR

> <WIKIPEDIA_ACCESSION>
Pyruvic_acid

> <YMDB_ACCESSION>
YMDB00175

> <PUBMED_CITATION>
11762589; 19260671; 22150460; 22233273; 22735334; 22770225

$$$$