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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 04:25:24 UTC
Update Date2023-02-21 17:31:00 UTC
HMDB IDHMDB0062564
Secondary Accession Numbers
  • HMDB62564
Metabolite Identification
Common Name1D-5-O-Methyl-chiro-inositol
Description1D-5-O-Methyl-chiro-inositol, also known as matezitol or sennitol, belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. 1D-5-O-Methyl-chiro-inositol is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on 1D-5-O-Methyl-chiro-inositol.
Structure
Thumb
Synonyms
ValueSource
(1S,2R,3R,4R,5S,6S)-6-Methoxycyclohexane-1,2,3,4,5-pentolChEBI
1D-(1,2,4/3,5,6)-5-O-methylcyclohexanehexolChEBI
5-O-Methyl-1D-chiro-inositolChEBI
1D-2-O-Methyl-chiro-inositolHMDB
MatezitolHMDB
SennitolHMDB
2-O-Methyl-chiro-inositolHMDB
2-O-MethylchiroinositolHMDB
2-O-Methyl-D-chiro-inositolHMDB
CaesalpinitolHMDB
D-QuebrachitolHMDB
1D-5-O-Methyl-chiro-inositolHMDB
Chemical FormulaC7H14O6
Average Molecular Weight194.183
Monoisotopic Molecular Weight194.079038171
IUPAC Name(1S,2R,3R,4R,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol
Traditional Name1D-5-O-methyl-chiro-inositol
CAS Registry Number3564-07-6
SMILES
CO[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6+,7-/m1/s1
InChI KeyDSCFFEYYQKSRSV-NYLBLOMBSA-N
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 Parents
Substituents
  • Cyclohexanol
  • Cyclitol or derivatives
  • Cyclic alcohol
  • Polyol
  • Ether
  • Dialkyl ether
  • Hydrocarbon derivative
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility544 g/lALOGPS
LogP-2.67ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00001168
Chemspider ID20120106
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID18173
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available