BMRB

Biological Magnetic Resonance Data Bank


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

Myo-Inositol

Graphical representations:

myo-Inositol image

Molecular Formula: C6 H12 O6

Natural Isotopic Abundance Mass: 180.1558800000

Mono-Isotopic Molecular Masses:

  • C12N14: 180.063388118
  • C13N14: 186.083517145
  • C12N15: 180.063388118
  • C13N15: 186.083517145

InCHi String:

isomeric and canonical SMILES: C1(C(C(C(C(C1O)O)O)O)O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
cyclohexane-1,2,3,4,5,6-hexol

PubChem Substance (SID):   111677723   149916   3437
PubChem Compound (CID):   892
KEGG: Compound ID   C00137
CAS Registry IDs:   53319-35-0   87-89-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 17268   CCRIS 6745   NSC 404118   EINECS 201-781-2

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.