ChEBI


  7  6  0  0  0  0  0  0  0  0  1 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  0  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  END
> <ID>
CHEBI:32398

> <NAME>
D-glyceric acid

> <DEFINITION>
The D-enantiomer of glyceric acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:21030; CHEBI:41990; CHEBI:4187

> <SYNONYM>
R-glyceric acid; Glyceric acid; D-GroA; D-Glyceric acid; alpha,beta-Hydroxypropionic acid

> <IUPAC_NAME>
(2R)-2,3-dihydroxypropanoic acid

> <FORMULA>
C3H6O4

> <MASS>
106.07734

> <MONOISOTOPIC_MASS>
106.02661

> <CHARGE>
0

> <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)/t2-/m1/s1

> <INCHIKEY>
RBNPOMFGQQGHHO-UWTATZPHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721418

> <CAS_REGISTRY_NUMBER>
473-81-4

> <REAXYS_REGISTRY_NUMBER>
1721418

> <ECMDB_ACCESSION>
ECMDB04077

> <KEGG_COMPOUND_ACCESSION>
C00258

> <KNAPSACK_ACCESSION>
C00001185

> <METACYC_ACCESSION>
GLYCERATE

> <PDBECHEM_ACCESSION>
DGY

> <YMDB_ACCESSION>
YMDB02299

> <PUBMED_CITATION>
17439666; 18853153; 19621222; 21852749; 22226201; 22290646

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