Marvin  02010810212D          

 10  9  0  0  0  0            999 V2000
   -0.3572    0.2063    0.0000 C   0  0  1  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
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    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
   -1.7862    0.2062    0.0000 O   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   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0313    0.0000 O   0  0  0  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
  1  9  1  1  0  0  0
  1  2  1  0  0  0  0
  2 10  1  1  0  0  0
  2  3  1  0  0  0  0
  3  7  2  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  5  8  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:10696

> <NAME>
(3S)-3-hydroxy-L-aspartic acid

> <DEFINITION>
The (3S)-diastereomer of 3-hydroxy-L-aspartic acid.

> <STAR>
3

> <SYNONYM>
DL-threo-beta-Hydroxyaspartic acid

> <IUPAC_NAME>
(3S)-3-hydroxy-L-aspartic acid; (2S,3S)-2-amino-3-hydroxybutanedioic acid

> <FORMULA>
C4H7NO5

> <MASS>
149.10212

> <MONOISOTOPIC_MASS>
149.03242

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1

> <INCHIKEY>
YYLQUHNPNCGKJQ-LWMBPPNESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2046208

> <CAS_REGISTRY_NUMBER>
7298-99-9

> <REAXYS_REGISTRY_NUMBER>
2046208

> <CHEMIDPLUS>
7298-99-9

> <KEGG_COMPOUND_ACCESSION>
C11511

> <KNAPSACK_ACCESSION>
C00018064

> <PDBECHEM_ACCESSION>
BHD

> <YMDB_ACCESSION>
YMDB00166

> <PUBMED_CITATION>
22735334

$$$$