Myo-Inositol

Myo-Inositol bmse000103 - Data bmse000901 - Data bmse000922 - Data bmst000109 - Theory

Myo_inositol synonyms

INOSITOL; Inositol, i-; L-myo-Inositol; 1L-myo-Inositol; Myoinositol; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; Inositene; Inositol; Mesol; Inositina; Phaseomannite

Wikipedia:

Graphical representations:

myo_inositol

View large 3D structure

Molecular Formula: C6H12O6

Natural Isotopic Abundance Mass: 180.1558800000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-

IUPAC: cyclohexane-1,2,3,4,5,6-hexol

ChEBI: 17268
CCRIS: 6745
NSC: 404118
PubChem Compound (CID): 892
KEGG Compound ID: C00137
CAS Registry number: 53319-35-0 87-89-8
EINECS: 201-781-2

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)