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  5  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  CHG  1   2  -1
M  END
> <ID>
CHEBI:29805

> <NAME>
glycolate

> <DEFINITION>
A hydroxy monocarboxylic acid anion that is acetate where the methyl group has been hydroxylated.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24388; CHEBI:14348

> <SYNONYM>
glycolate

> <IUPAC_NAME>
hydroxyacetate

> <FORMULA>
C2H3O3

> <MASS>
75.04342

> <MONOISOTOPIC_MASS>
75.00877

> <CHARGE>
-1

> <SMILES>
OCC([O-])=O

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

> <INCHIKEY>
AEMRFAOFKBGASW-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
666-14-8

> <REAXYS_REGISTRY_NUMBER>
3903689

> <DRUGBANK_ACCESSION>
DB03085

> <KEGG_COMPOUND_ACCESSION>
C00160

> <METACYC_ACCESSION>
GLYCOLLATE

> <PUBMED_CITATION>
17190852; 22093610; 22207577; 22268146; 22327578; 22394389; 22446032

$$$$