Marvin  06201313222D          

  9  9  0  0  1  0            999 V2000
   10.1226   -7.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7901   -8.2712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3775   -7.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025   -7.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2421   -8.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8553   -7.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4137   -8.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3380   -8.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4575   -7.7862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  9  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  9  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  9  5  1  1  0  0  0
  8  1  2  0  0  0  0
M  END
> <ID>
CHEBI:18183

> <NAME>
5-oxo-L-proline

> <DEFINITION>
An optically active form of 5-oxoproline having L-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44704; CHEBI:2113; CHEBI:12153; CHEBI:20619

> <SYNONYM>
PYROGLUTAMIC ACID; Pyroglutamic acid; Pyroglutamate; pidolic acid; L-Pyroglutamic acid; L-5-Pyrrolidone-2-carboxylic acid; 5-Pyrrolidone-2-carboxylic acid; 5-Oxo-L-proline; 5-Oxo-L-proline; (S)-pyroglutamic acid; (S)-(-)-2-pyrrolidone-5-carboxylic acid; (-)-2-pyrrolidone-5-carboxylic acid

> <IUPAC_NAME>
5-oxo-L-proline; (2S)-5-oxopyrrolidine-2-carboxylic acid

> <FORMULA>
C5H7NO3

> <MASS>
129.11400

> <MONOISOTOPIC_MASS>
129.04259

> <CHARGE>
0

> <SMILES>
OC(=O)[C@@H]1CCC(=O)N1

> <INCHI>
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1

> <INCHIKEY>
ODHCTXKNWHHXJC-VKHMYHEASA-N

> <BEILSTEIN_REGISTRY_NUMBER>
82132

> <CAS_REGISTRY_NUMBER>
98-79-3

> <GMELIN_REGISTRY_NUMBER>
1125330

> <REAXYS_REGISTRY_NUMBER>
82132

> <CHEMIDPLUS>
98-79-3

> <DRUGBANK_ACCESSION>
DB03088

> <KEGG_COMPOUND_ACCESSION>
C01879

> <KNAPSACK_ACCESSION>
C00007403

> <METACYC_ACCESSION>
5-OXOPROLINE

> <NIST_CHEMISTRY_WEBBOOK>
98-79-3

> <PDBECHEM_ACCESSION>
PCA

> <WIKIPEDIA_ACCESSION>
Pyroglutamic_acid

> <YMDB_ACCESSION>
YMDB00107

> <PUBMED_CITATION>
17439666; 22560249; 22619187

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