Record Information
Version1.0
Creation date2015-10-09 22:27:35 UTC
Update date2017-01-19 02:36:10 UTC
FoodComEx IDPC000033
FoodDB RecordFDB010547
Chemical Information
NameMyo-Inositol
DescriptionOf common occurrence in plants and animals . obtained comly. from phytic acid in corn steep liquor. Dietary supplement Inositol is a cyclic polyalcohol that plays an important role as a second messenger in a cell, in the form of inositol phosphates. It is found in many foods, particularly in cereals with high bran content. It is an isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed., p1379) Inositol phospholipids are important in signal transduction.
CAS Number87-89-8
Structure
Thumb
Synonyms
SynonymSource
(1a,2a,3a,4b,5a,6b)-Cyclohexanehexoldb_source
(1R,2R,3S,4S,5R,6S)-Cyclohexane-1,2,3,4,5,6-hexolChEBI
1,2,3,4,5,6-HEXAHYDROXY-cyclohexaneChEBI
1,2,3,5/4,6-cyclohexanehexolChEBI
1,2,3,5/4,6-Inositoldb_source
1D-myo-InositolChEBI
1L-myo-InositolChEBI
Bios IChEBI
cis-1,2,3,5-trans-4,6-CyclohexanehexolChEBI
CyclohexitolChEBI
D-myo-InositolChEBI
DamboseChEBI
i-Inositoldb_source
InositeChEBI
InositolChEBI
InsChEBI
Iso-inositolHMDB
L-myo-InositolChEBI
Meat sugarChEBI
meso-Inositoldb_source
MIHMDB
MyoinositeHMDB
MyoinositolChEBI
Nucitoldb_source
PhaseomanniteHMDB
Rat antispectacled eye factorHMDB
Chemical FormulaC6H12O6
IUPAC name(1R,2R,3r,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol
InChI IdentifierInChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
InChI KeyCDAISMWEOUEBRE-GPIVLXJGSA-N
Isomeric SMILESO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O
Average Molecular Weight180.1559
Monoisotopic Molecular Weight180.063388116
Chemical Taxonomy
Description belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentCyclohexanols
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water Solubility143 mg/mL at 19 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 225°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci K572
Glentham GC4902
MetaSci HMDB0000211
Sigma-Aldrich HMDB0000211
Toronto Research Chemicals I665995