Marvin  04140821112D          

  9  9  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
   -0.7145   -0.4125    0.0000 C   0  0  0  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
    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
    0.0000   -0.8250    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  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  1  1  0  0  0  0
  1  3  1  0  0  0  0
  4  3  2  0  0  0  0
  7  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
M  END
> <ID>
CHEBI:30912

> <NAME>
1-piperideine-2-carboxylic acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10539; CHEBI:500; CHEBI:16334; CHEBI:23601; CHEBI:18886

> <SYNONYM>
Delta(1)-piperidine-2-carboxylic acid; 1,2-Didehydropiperidine-2-carboxylate

> <IUPAC_NAME>
3,4,5,6-tetrahydropyridine-2-carboxylic acid

> <FORMULA>
C6H9NO2

> <MASS>
127.14120

> <MONOISOTOPIC_MASS>
127.06333

> <CHARGE>
0

> <SMILES>
OC(=O)C1=NCCCC1

> <INCHI>
InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)

> <INCHIKEY>
GEJXSVNGWOSZPC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
110800

> <CAS_REGISTRY_NUMBER>
2756-89-0

> <CHEMIDPLUS>
2756-89-0

> <KEGG_COMPOUND_ACCESSION>
C01258

$$$$