Marvin  11080616582D          

  9  8  0  0  1  0            999 V2000
    1.7862   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  4  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  1  0  0  0
M  END
> <ID>
CHEBI:17196

> <NAME>
L-asparagine

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40902; CHEBI:6191; CHEBI:13083; CHEBI:21242

> <SYNONYM>
N; L-aspartic acid beta-amide; L-Asparagine; L-Asparagin; L-2-aminosuccinamic acid; Aspartamic acid; ASPARAGINE; Asn; alpha-aminosuccinamic acid; 2-Aminosuccinamic acid; (S)-Asparagine; (S)-2-amino-3-carbamoylpropanoic acid; (2S)-2-amino-3-carbamoylpropanoic acid; (2S)-2,4-diamino-4-oxobutanoic acid

> <IUPAC_NAME>
L-asparagine

> <FORMULA>
C4H8N2O3

> <MASS>
132.11800

> <MONOISOTOPIC_MASS>
132.05349

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1

> <INCHIKEY>
DCXYFEDJOCDNAF-REOHCLBHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1723527

> <CAS_REGISTRY_NUMBER>
70-47-3

> <GMELIN_REGISTRY_NUMBER>
3334

> <REAXYS_REGISTRY_NUMBER>
1723527

> <CHEMIDPLUS>
70-47-3

> <DRUGBANK_ACCESSION>
DB00174

> <ECMDB_ACCESSION>
ECMDB00168

> <KEGG_COMPOUND_ACCESSION>
C00152

> <KNAPSACK_ACCESSION>
C00001341

> <METACYC_ACCESSION>
ASN

> <NIST_CHEMISTRY_WEBBOOK>
70-47-3

> <PDBECHEM_ACCESSION>
ASN

> <WIKIPEDIA_ACCESSION>
Asparagine

> <YMDB_ACCESSION>
YMDB00226

> <PUBMED_CITATION>
12142634; 15907185; 16190636; 16368161; 16668324; 17497286; 21800258; 21854356; 22513289

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