Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:23:48 UTC
Update Date2024-09-29 10:04:29 UTC
Metabolite IDMMDBc0029476
Metabolite Identification
Common NameInositol
DescriptionInositol or cyclohexane-1,2,3,4,5,6-hexol is a chemical compound with formula C6H12O6 or (-CHOH-)6, a six-fold alcohol (polyol) of cyclohexane. It exists in nine possible stereoisomers, of which the most prominent form, widely occuring in nature, is cis-1,2,3,5-trans-4,6-cyclohexanehexol, or myo-inositol. Other naturally occurring isomers (though in minimal quantities) are scyllo-, muco-, D-chiro-, and neo-inositol. The other possible isomers are L-chiro-, allo-, epi-, and cis-inositol. (Wikipedia )
Structure
Synonyms
ValueSource
1,2,3,4,5,6-CyclohexanehexolChEBI
InositolsChEBI
QuercinitolMeSH
ScyllitolMeSH
Scyllo-inositolMeSH
(1R,2R,3R,4R,5R,6R)-1,2,3,4,5,6-CyclohexanehexolMeSH
AZD-103MeSH
ELND005MeSH
Molecular FormulaC6H12O6
Average Mass180.1559
Monoisotopic Mass180.063388116
IUPAC Namecyclohexane-1,2,3,4,5,6-hexol
Traditional Name(-)-inositol
CAS Registry Number6917-35-7
SMILES
OC1C(O)C(O)C(O)C(O)C1O
InChI Identifier
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChI KeyCDAISMWEOUEBRE-UHFFFAOYSA-N