Marvin  12180722112D          

 12 12  0  0  1  0            999 V2000
    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
    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
   -1.4290    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  8  3  1  0  0  0  0
  1  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
M  CHG  2   9  -1  12  -1
M  END
> <ID>
CHEBI:16845

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:13042; CHEBI:6152; CHEBI:18055; CHEBI:21189

> <SYNONYM>
L-2,3,4,5-Tetrahydrodipicolinate; (S)-2,3,4,5-Tetrahydropyridine-2,6-dicarboxylate; (S)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate; (S)-2,3,4,5-tetrahydrodipicolinate; (S)-2,3,4,5-tetrahydrodipicolinate

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

> <FORMULA>
C7H7NO4

> <MASS>
169.13482

> <MONOISOTOPIC_MASS>
169.03860

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/p-2/t4-/m0/s1

> <INCHIKEY>
CXMBCXQHOXUCEO-BYPYZUCNSA-L

> <KEGG_COMPOUND_ACCESSION>
C03972

$$$$