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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:58:38 UTC
Update Date2021-09-26 22:54:40 UTC
HMDB IDHMDB0245931
Secondary Accession NumbersNone
Metabolite Identification
Common Name3-O-Methyl-d-glucose
Description3-O-Methyl-d-glucose, also known as 3 O methylglucose, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Based on a literature review very few articles have been published on 3-O-Methyl-d-glucose. This compound has been identified in human blood as reported by (PMID: 31557052 ). 3-o-methyl-d-glucose is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 3-O-Methyl-d-glucose is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
3-O-MethylglucoseHMDB
3 O MethylglucoseHMDB
3 O Methyl D glucoseHMDB
3-O-Methyl-D-glucoseMeSH
Chemical FormulaC7H14O6
Average Molecular Weight194.183
Monoisotopic Molecular Weight194.079038171
IUPAC Name2,4,5,6-tetrahydroxy-3-methoxyhexanal
Traditional Name2,4,5,6-tetrahydroxy-3-methoxyhexanal
CAS Registry NumberNot Available
SMILES
COC(C(O)C=O)C(O)C(O)CO
InChI Identifier
InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h3-8,10-12H,2H2,1H3
InChI KeyRMTFNDVZYPHUEF-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentFatty alcohols
Alternative Parents
Substituents
  • Fatty alcohol
  • Medium-chain aldehyde
  • Monosaccharide
  • Alpha-hydroxyaldehyde
  • Secondary alcohol
  • Polyol
  • Ether
  • Dialkyl ether
  • Primary alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Aldehyde
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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 SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
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 IDNot Available
Chemspider ID263364
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound298225
PDB IDNot Available
ChEBI IDNot Available
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 References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]