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-Ornithine image

View large 3D structure

Molecular Formula: C5 H12 N2 O2

Natural Isotopic Abundance Mass: 132.1609800000

Mono-Isotopic Molecular Masses:

  • C12N14: 132.08987764
  • C13N14: 137.106651829
  • C12N15: 134.083947426
  • C13N15: 139.1007216152

InChI String: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1

isomeric SMILES: C(C[C@@H](C(=O)O)N)CN

canonical SMILES: C(CC(C(=O)O)N)CN

(2S)-2,5-diaminopentanoic acid

PubChem Substance (SID):   85164988   149189   3377
PubChem Compound (CID):   6262
KEGG: Compound ID   C00077
CAS Registry IDs:   70-26-8   7006-33-9
PDB Chemical Component   ORN
Miscellaneous Databases and IDs:   CHEBI 15729   Beilstein Handbook Reference 4-04-00-02644   EINECS 200-731-7

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,