Marvin  06230622212D          

  5  4  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
    0.0000    0.8250    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
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <ID>
CHEBI:17497

> <NAME>
glycolic acid

> <DEFINITION>
A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42865; CHEBI:5475; CHEBI:24390

> <SYNONYM>
Hydroxyethanoic acid; Hydroxyacetic acid; HOCH2COOH; Glycollic acid; GLYCOLIC ACID; Glycolic acid; alpha-Hydroxyacetic acid; alpha-hydroxyacetic acid; 2-Hydroxyethanoic acid; 2-Hydroxyacetic acid

> <IUPAC_NAME>
hydroxyacetic acid

> <FORMULA>
C2H4O3

> <MASS>
76.05136

> <MONOISOTOPIC_MASS>
76.01604

> <CHARGE>
0

> <SMILES>
OCC(O)=O

> <INCHI>
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)

> <INCHIKEY>
AEMRFAOFKBGASW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
79-14-1

> <REAXYS_REGISTRY_NUMBER>
1209322

> <CHEMIDPLUS>
79-14-1

> <KEGG_COMPOUND_ACCESSION>
C00160

> <KNAPSACK_ACCESSION>
C00007461

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050148

> <METACYC_ACCESSION>
GLYCOLLATE

> <NIST_CHEMISTRY_WEBBOOK>
79-14-1

> <PDBECHEM_ACCESSION>
GOA

> <WIKIPEDIA_ACCESSION>
Glycolic_acid

> <PUBMED_CITATION>
14585457; 15662707; 15716481; 15716482; 18498500; 19025792; 21950544; 22044748; 22128110; 22360337; 22421647

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