Ketcher 11251911152D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
    8.4262   -4.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9262   -5.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6862   -5.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4262   -4.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1172   -4.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8942   -6.2715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4293   -4.6242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8383   -3.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7352   -4.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4783   -4.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0     0  0
  9  2  1  0     0  0
  9  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  2  0     0  0
  4  8  2  0     0  0
  4  5  1  0     0  0
  9 10  1  6     0  0
M  END
> <ID>
CHEBI:16821

> <NAME>
4-oxo-L-proline

> <DEFINITION>
The L-enantiomer of  4-oxoproline.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42059; CHEBI:20468

> <SYNONYM>
4-Oxo-L-proline; 4-ketoproline

> <IUPAC_NAME>
4-oxo-L-proline; (2S)-4-oxopyrrolidine-2-carboxylic acid

> <FORMULA>
C5H7NO3

> <MASS>
129.115

> <MONOISOTOPIC_MASS>
129.04259

> <CHARGE>
0

> <SMILES>
C1[C@](NCC1=O)(C(O)=O)[H]

> <INCHI>
InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/t4-/m0/s1

> <INCHIKEY>
HFXAFXVXPMUQCQ-BYPYZUCNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
82135

> <CAS_REGISTRY_NUMBER>
2002-02-0

> <REAXYS_REGISTRY_NUMBER>
82135

> <CHEMIDPLUS>
2002-02-0

> <KEGG_COMPOUND_ACCESSION>
C01877

> <PDBECHEM_ACCESSION>
DPL

$$$$