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: CH4O

Natural Isotopic Abundance Mass: 32.0418600000

Mono-Isotopic Molecular Masses:

  • C12N14: 32.0262147505
  • C13N14: 33.0295695883
  • C12N15: 32.0262147505
  • C13N15: 33.0295695883

InChI string: InChI=1/CH4O/c1-2/h2H,1H3

IUPAC: methanol

PubChem Compound (CID): 887
KEGG Compound ID: C00132
ChemIDplus: 000067561
CAS Registry number: 67-56-1 54841-71-3
EINECS: 200-659-6
Caswell No.: 552
CCRIS: 2301
EPA Pesticide Chemical Code: 053801
HSDB: 93

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,