Marvin  08241216392D          

 13 13  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  8  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  6  0  0  0
  3  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  2 13  1  6  0  0  0
M  CHG  2   9  -1  12  -1
M  END
> <ID>
CHEBI:67139

> <NAME>
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate(2-)

> <DEFINITION>
The dicarboxylic acid dianion formed from (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid by proton loss from both carboxy groups; major species present at pH 7.3.

> <STAR>
3

> <SYNONYM>
(4S)-4-hydroxy-2,3,4,5-tetrahydro-(2S)-dipicolinate(2-); (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate

> <IUPAC_NAME>
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate

> <FORMULA>
C7H7NO5

> <MASS>
185.13420

> <MONOISOTOPIC_MASS>
185.03352

> <CHARGE>
-2

> <SMILES>
O[C@H]1C[C@H](N=C(C1)C([O-])=O)C([O-])=O

> <INCHI>
InChI=1S/C7H9NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h3-4,9H,1-2H2,(H,10,11)(H,12,13)/p-2/t3-,4-/m0/s1

> <INCHIKEY>
DVTPRYHENFBCII-IMJSIDKUSA-L

> <METACYC_ACCESSION>
CPD-14443

> <PUBMED_CITATION>
8993314

$$$$