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:


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Molecular Formula: C6H9N3O2

Natural Isotopic Abundance Mass: 155.1545600000

Mono-Isotopic Molecular Masses:

  • C12N14: 155.069476549
  • C13N14: 161.089605576
  • C12N15: 158.060581228
  • C13N15: 161.089605576

InChI string: InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/f/h9-10H

IUPAC: (2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid

PubChem Compound (CID): 6274
KEGG Compound ID: C00135
CAS Registry number: 150-35-6 155304-24-8 35479-49-3 35558-59-9 45955-20-2 54166-13-1 7006-35-1 71-00-1
ChEBI: 15971
FEMA No.: 3694
EINECS: 200-745-3
NSC: 137773
HSDB: 1810

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,