BMRB

Biological Magnetic Resonance Data Bank


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

(1-methylimidazol-2-yl)methanol

(1-methylimidazol-2-yl)methanol synonyms

Wikipedia:

Graphical representations:

(1-methylimidazol-2-yl)methanol

View large 3D structure

Molecular Formula: C5H8N2O

Natural Isotopic Abundance Mass: 112.12982

Mono-Isotopic Molecular Masses:

  • C12N14: 112.063662886
  • C13N14: 117.08043707600001
  • C12N15: 114.05773267200001
  • C13N15: 119.07450686200002

InChI string: InChI=1S/C5H8N2O/c1-7-3-2-6-5(7)4-8/h2-3,8H,4H2,1H3

IUPAC: b'(1-methylimidazol-2-yl)methanol'

EU-OPENSCREEN: EOS103450

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)