BMRB

Biological Magnetic Resonance Data Bank


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

3,4-dehydro-d/L-proline

Graphical representations:

dehydro_proline

View large 3D structure

Molecular Formula: C5H7NO2

Natural Isotopic Abundance Mass: 113.1145800000

Mono-Isotopic Molecular Masses:

  • C12N14: 113.047678474
  • C13N14: 118.064452663
  • C12N15: 114.044713367
  • C13N15: 118.064452663

InChI string: InChI=1/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-2,4,6H,3H2,(H,7,8)/f/h7H

IUPAC: 2,5-dihydro-1H-pyrrole-2-carboxylic acid

PubChem Compound (CID): 97858
CAS Registry number: 3395-35-5
EINECS: 222-243-3

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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, https://www.nature.com/articles/sdata201773)