Marvin  11290722322D          

  7  6  0  0  0  0            999 V2000
   -1.4289    0.0000    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
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   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
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  7  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
M  END
> <ID>
CHEBI:30841

> <NAME>
3-hydroxypyruvic acid

> <DEFINITION>
A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a hydroxy group. It is an intermediate involved in the glycine and serine metabolism.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:39999; CHEBI:5813; CHEBI:20083

> <SYNONYM>
Hydroxypyruvic acid; 3-HYDROXYPYRUVIC ACID; 3-Hydroxypyruvic acid

> <IUPAC_NAME>
3-hydroxy-2-oxopropanoic acid

> <FORMULA>
C3H4O4

> <MASS>
104.06146

> <MONOISOTOPIC_MASS>
104.01096

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)

> <INCHIKEY>
HHDDCCUIIUWNGJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721079

> <CAS_REGISTRY_NUMBER>
1113-60-6

> <REAXYS_REGISTRY_NUMBER>
1721079

> <CHEMIDPLUS>
1113-60-6

> <DRUGBANK_ACCESSION>
DB02951

> <KEGG_COMPOUND_ACCESSION>
C00168

> <KNAPSACK_ACCESSION>
C00007563

> <PDBECHEM_ACCESSION>
3PY

> <WIKIPEDIA_ACCESSION>
Hydroxypyruvic_acid

> <PUBMED_CITATION>
13163046; 13328834; 13522577; 13522578; 13564115; 13798280; 20989501

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