Marvin  05110712422D          

  8  7  0  0  0  0            999 V2000
    0.7145    0.1031    0.0000 C   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
   -0.7145    0.1031    0.0000 C   0  0  2  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
    0.7145    0.9281    0.0000 O   0  0  0  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    0.9281    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  1  0  0  0  0
  5  1  2  0  0  0  0
  4  1  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
M  END
> <ID>
CHEBI:32826

> <NAME>
D-allothreonine

> <DEFINITION>
The D-enantiomer of  allothreonine. It occurs as a component of peptido-lipids in certain bacteria.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:31452; CHEBI:29378

> <SYNONYM>
D-Allothreonine; D-allo-Threonine; (R)-allothreonine; (2R,3R)-allothreonine; (2R,3R)-2-amino-3-hydroxybutanoic acid

> <IUPAC_NAME>
D-allothreonine

> <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-PWNYCUMCSA-N

> <CAS_REGISTRY_NUMBER>
24830-94-2

> <REAXYS_REGISTRY_NUMBER>
1721644

> <CHEMIDPLUS>
24830-94-2

> <KEGG_COMPOUND_ACCESSION>
C12317

> <METACYC_ACCESSION>
CPD-10303

> <PDBECHEM_ACCESSION>
2TL

> <PUBMED_CITATION>
13717442; 21190106; 7410203

$$$$