Marvin  09260609592D          

  6  5  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   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
    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
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <ID>
CHEBI:16891

> <NAME>
glyoxylic acid

> <DEFINITION>
A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the α carbon atom.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42767; CHEBI:5509; CHEBI:24421

> <SYNONYM>
oxoethanoic acid; oxalaldehydic acid; Glyoxylsaeure; GLYOXYLIC ACID; Glyoxylic acid; Glyoxylate; Glyoxalsaeure; Glyoxalate; formylformic acid; alpha-ketoacetic acid

> <IUPAC_NAME>
oxoacetic acid

> <FORMULA>
C2H2O3

> <MASS>
74.03548

> <MONOISOTOPIC_MASS>
74.00039

> <CHARGE>
0

> <SMILES>
[H]C(=O)C(O)=O

> <INCHI>
InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)

> <INCHIKEY>
HHLFWLYXYJOTON-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
741891

> <CAS_REGISTRY_NUMBER>
298-12-4

> <GMELIN_REGISTRY_NUMBER>
25752

> <REAXYS_REGISTRY_NUMBER>
741891

> <CHEMIDPLUS>
298-12-4

> <DRUGBANK_ACCESSION>
DB04343

> <KEGG_COMPOUND_ACCESSION>
C00048

> <KNAPSACK_ACCESSION>
C00001186

> <METACYC_ACCESSION>
GLYOX

> <NIST_CHEMISTRY_WEBBOOK>
298-12-4

> <PDBECHEM_ACCESSION>
GLV

> <WIKIPEDIA_ACCESSION>
Glyoxylic_acid

> <PUBMED_CITATION>
11479160; 16396466; 22580421; 23790896

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