Marvin  10260716522D          

 12 12  0  0  1  0            999 V2000
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  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
    0.0000   -0.8250    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  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    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    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
 10  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
M  CHG  2   8  -1  11  -1
M  END
> <ID>
CHEBI:30620

> <NAME>
(S)-2,3-dihydrodipicolinate(2-)

> <STAR>
3

> <SECONDARY_ID>
CHEBI:23739; CHEBI:19312; CHEBI:29048

> <SYNONYM>
L-2,3-Dihydrodipicolinate; (S)-2,3-dihydropyridine-2,6-dicarboxylate; (S)-2,3-dihydrodipicolinate

> <IUPAC_NAME>
(2S)-2,3-dihydropyridine-2,6-dicarboxylate

> <FORMULA>
C7H5NO4

> <MASS>
167.11894

> <MONOISOTOPIC_MASS>
167.02295

> <CHARGE>
-2

> <SMILES>
[O-]C(=O)[C@@H]1CC=CC(=N1)C([O-])=O

> <INCHI>
InChI=1S/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12)/p-2/t5-/m0/s1

> <INCHIKEY>
UWOCFOFVIBZJGH-YFKPBYRVSA-L

> <KEGG_COMPOUND_ACCESSION>
C03340

$$$$