Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Graphical representations:

L-Proline image

View large 3D structure

Molecular Formula: C5 H9 N O2

Natural Isotopic Abundance Mass: 115.1304600000

Mono-Isotopic Molecular Masses:

  • C12N14: 115.063328538
  • C13N14: 120.080102727
  • C12N15: 116.060363431
  • C13N15: 121.0771376205

InChI String: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1

isomeric SMILES: C1C[C@@H](NC1)C(=O)O

canonical SMILES: C1CC(NC1)C(=O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
(2R)-pyrrolidine-2-carboxylic acid

PubChem Substance (SID):   85164895   152149   3448
PubChem Compound (CID):   8988   145742
KEGG: Compound ID   C00148
CAS Registry IDs:   147-85-3   7005-20-1
PDB Chemical Component   PRO   PRO_LFOH   PRO_LFZW
Miscellaneous Databases and IDs:   CHEBI 17203   HSDB 1210   EINECS 205-702-2   NSC 46703   FEMA No. 3319   FEMA Number 3319

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,