Marvin  11090614232D          

  8  8  0  0  1  0            999 V2000
   -0.7145    1.2375    0.0000 O   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    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6674   -0.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  5  1  0  0  0  0
M  END
> <ID>
CHEBI:26271

> <NAME>
proline

> <DEFINITION>
An α-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.

> <STAR>
3

> <SYNONYM>
pyrrolidine-2-carboxylic acid; proline; prolina; Prolin; Hpro; DL-Proline

> <IUPAC_NAME>
proline

> <FORMULA>
C5H9NO2

> <MASS>
115.13050

> <MONOISOTOPIC_MASS>
115.06333

> <CHARGE>
0

> <SMILES>
OC(=O)C1CCCN1

> <INCHI>
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)

> <INCHIKEY>
ONIBWKKTOPOVIA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
80809

> <CAS_REGISTRY_NUMBER>
609-36-9

> <GMELIN_REGISTRY_NUMBER>
26927

> <REAXYS_REGISTRY_NUMBER>
80809

> <CHEMIDPLUS>
609-36-9

> <KEGG_COMPOUND_ACCESSION>
C16435

> <NIST_CHEMISTRY_WEBBOOK>
609-36-9

> <WIKIPEDIA_ACCESSION>
Proline

> <PUBMED_CITATION>
16534801; 21400017; 21903295; 22264337; 22280966; 22770225

$$$$