Showing metabocard for 2-Deoxygalactopyranose (BMDB0012327)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:36:14 UTC
Update Date2020-05-05 18:38:34 UTC
BMDB IDBMDB0012327
Secondary Accession Numbers
  • BMDB12327
Metabolite Identification
Common Name2-Deoxygalactopyranose
Description2-Deoxygalactopyranose, also known as 2-deoxy-D-galactose, belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Based on a literature review a small amount of articles have been published on 2-Deoxygalactopyranose.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2-Deoxy-D-galactoseChEBI
2-DeoxygalactoseChEBI
2-Deoxy-D-galactopyranoseHMDB
2-Deoxy-D-lyxo-hexopyranoseHMDB
alpha FucoseMeSH, HMDB
alpha-FucoseMeSH, HMDB
DeoxygalactoseMeSH, HMDB
FucoseMeSH, HMDB
Chemical FormulaC6H12O5
Average Molecular Weight164.1565
Monoisotopic Molecular Weight164.068473494
IUPAC Name(4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
Traditional Name(4R,5R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CAS Registry Number25494-04-6
SMILES
OC[C@H]1OC(O)C[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6-/m1/s1
InChI KeyPMMURAAUARKVCB-DUVQVXGLSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.5ALOGPS
logP-2ChemAxon
logS0.78ALOGPS
pKa (Strongest Acidic)12.29ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area90.15 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity34.41 m³·mol⁻¹ChemAxon
Polarizability15.46 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0012327
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028946
KNApSAcK IDC00052630
Chemspider ID388857
KEGG Compound IDC02781
BioCyc IDCPD-5861
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound439804
PDB IDNot Available
ChEBI ID90759
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available