Marvin  11060610112D          

  8  7  0  0  1  0            999 V2000
    0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.1344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.3094    0.0000 C   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
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
M  END
> <ID>
CHEBI:16857

> <NAME>
L-threonine

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45843; CHEBI:42083; CHEBI:45983; CHEBI:13175; CHEBI:6308; CHEBI:21403

> <SYNONYM>
THREONINE; Thr; T; L-Threonine; L-Threonin; L-alpha-amino-beta-hydroxybutyric acid; L-2-Amino-3-hydroxybutyric acid; L-(-)-Threonine; 2-Amino-3-hydroxybutyric acid; (2S,3R)-2-amino-3-hydroxybutanoic acid; (2S,3R)-(-)-Threonine; (2S)-threonine

> <IUPAC_NAME>
L-threonine

> <FORMULA>
C4H9NO3

> <MASS>
119.11920

> <MONOISOTOPIC_MASS>
119.05824

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1

> <INCHIKEY>
AYFVYJQAPQTCCC-GBXIJSLDSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721646

> <CAS_REGISTRY_NUMBER>
72-19-5

> <GMELIN_REGISTRY_NUMBER>
82510

> <REAXYS_REGISTRY_NUMBER>
1721646

> <CHEMIDPLUS>
72-19-5

> <DRUGBANK_ACCESSION>
DB00156

> <ECMDB_ACCESSION>
ECMDB00167

> <KEGG_COMPOUND_ACCESSION>
C00188

> <KEGG_DRUG_ACCESSION>
D00041

> <KNAPSACK_ACCESSION>
C00001394

> <NIST_CHEMISTRY_WEBBOOK>
72-19-5

> <PDBECHEM_ACCESSION>
THR

> <WIKIPEDIA_ACCESSION>
Threonine

> <YMDB_ACCESSION>
YMDB00214

> <PUBMED_CITATION>
11964235; 12523390; 16659349; 17379183; 22289691; 22342587; 22513921; 22770225; 24671569

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