BMRB

Biological Magnetic Resonance Data Bank


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

Methanol

Graphical representations:

Methanol image

View large 3D structure

Molecular Formula: C H4 O

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=1S/CH4O/c1-2/h2H,1H3

canonical SMILES: CO

IUPAC: IUPAC traditional: IUPAC openeye: IUPAC cas: IUPAC systematic
methanol

PubChem Substance (SID):   85165098   149123   3432
PubChem Compound (CID):   887
KEGG: Compound ID   C00132
CAS Registry IDs:   67-56-1   54841-71-3
PDB Chemical Component   MOH
Miscellaneous Databases and IDs:   ChemIDplus 000067561   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.

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, https://www.nature.com/articles/sdata201773