ChEBI


  7  6  0  0  0  0  0  0  0  0  2 V2000
    9.6828  -20.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828  -21.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8346  -22.0368    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5310  -22.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792  -21.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2274  -22.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310  -23.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  4  7  1  6  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:16659

> <NAME>
D-glycerate

> <DEFINITION>
A glycerate that is the conjugate base of D-glyceric acid, obtained by deprotonation of the carboxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10999; CHEBI:12985; CHEBI:21027

> <SYNONYM>
alpha,beta-Hydroxypropionate; (R)-glycerate anion; (R)-glycerate; (R)-glycerate

> <IUPAC_NAME>
(2R)-2,3-dihydroxypropanoate

> <FORMULA>
C3H5O4

> <MASS>
105.06940

> <MONOISOTOPIC_MASS>
105.01933

> <CHARGE>
-1

> <SMILES>
OC[C@@H](O)C([O-])=O

> <INCHI>
InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/p-1/t2-/m1/s1

> <INCHIKEY>
RBNPOMFGQQGHHO-UWTATZPHSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
6114954

> <GMELIN_REGISTRY_NUMBER>
1146853

> <REAXYS_REGISTRY_NUMBER>
6114954

> <KEGG_COMPOUND_ACCESSION>
C00258

> <METACYC_ACCESSION>
GLYCERATE

$$$$