Ketcher 11251910182D 1   1.00000     0.00000     0

  9  8  0     1  0            999 V2000
    2.1650   -0.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650    0.2501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0     0  0
  8  6  1  0     0  0
  2  8  1  0     0  0
  4  2  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  6  7  2  0     0  0
  8  9  1  6     0  0
M  END
> <ID>
CHEBI:28159

> <NAME>
D-asparagine

> <DEFINITION>
An optically active form of asparagine having D-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4107; CHEBI:20918

> <SYNONYM>
DSG; D-aspartic acid beta-amide; D-Asparagine; D-Asparagin; D-2-aminosuccinamic acid; (R)-2-amino-3-carbamoylpropanoic acid; (2R)-2-amino-3-carbamoylpropanoic acid; (2R)-2,4-diamino-4-oxobutanoic acid

> <IUPAC_NAME>
D-asparagine

> <FORMULA>
C4H8N2O3

> <MASS>
132.119

> <MONOISOTOPIC_MASS>
132.05349

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1

> <INCHIKEY>
DCXYFEDJOCDNAF-UWTATZPHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1723526

> <CAS_REGISTRY_NUMBER>
2058-58-4

> <GMELIN_REGISTRY_NUMBER>
101784

> <REAXYS_REGISTRY_NUMBER>
1723526

> <CHEMIDPLUS>
2058-58-4

> <DRUGBANK_ACCESSION>
DB03943

> <KEGG_COMPOUND_ACCESSION>
C01905

> <METACYC_ACCESSION>
CPD-3633

> <PDBECHEM_ACCESSION>
DSG

> <YMDB_ACCESSION>
YMDB00849

> <PUBMED_CITATION>
767332

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