bmse000103 myo-Inositol at BMRB

myo-Inositol

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

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

myo-Inositol

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-

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.