(2S)-2,3,4,5-tetrahydropyridine-2-carboxylate
  Marvin  04231011292D          

 10 10  0  0  0  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  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    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
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  1  0  0  0
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:58769

> <NAME>
(S)-1-piperideine-6-carboxylate

> <DEFINITION>
An optically active form of 1-piperideine-6-carboxylate having (S)-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:61447

> <SYNONYM>
L-1-piperideine-6-carboxylate; Delta(1)-piperideine-6-L-carboxylate; (S)-2,3,4,5-tetrahydropyridine-2-carboxylate

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

> <FORMULA>
C6H8NO2

> <MASS>
126.13320

> <MONOISOTOPIC_MASS>
126.05605

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/p-1/t5-/m0/s1

> <INCHIKEY>
CSDPVAKVEWETFG-YFKPBYRVSA-M

> <KEGG_COMPOUND_ACCESSION>
C00450

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