Showing metabocard for Beta-D-Fucose (BMDB0003081)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:02:44 UTC
Update Date2020-06-04 20:32:37 UTC
BMDB IDBMDB0003081
Secondary Accession Numbers
  • BMDB03081
Metabolite Identification
Common NameBeta-D-Fucose
Descriptionbeta-D-Fucose, also known as b-D-fuc, 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 significant number of articles have been published on beta-D-Fucose.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
beta-D-FucChEBI
WURCS=2.0/1,1,0/[a2112m-1b_1-5]/1/ChEBI
b-D-FucGenerator
Β-D-fucGenerator
b-D-FucoseGenerator
Β-D-fucoseGenerator
6-Deoxy-beta-D-galactopyranoseHMDB
6-Deoxy-beta-delta-galactopyranoseHMDB
b-D-FucopyranoseHMDB
beta-D-FucopyranoseHMDB
beta-delta-FucHMDB
beta-delta-FucopyranoseHMDB
FCBHMDB
6-Deoxy-beta-D-galactoseHMDB
6-Deoxy-β-D-galactopyranoseHMDB
6-Deoxy-β-D-galactoseHMDB
beta-D-FucoseHMDB
β-D-FucopyranoseHMDB
Chemical FormulaC6H12O5
Average Molecular Weight164.1565
Monoisotopic Molecular Weight164.068473494
IUPAC Name(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol
Traditional Nameβ-D-fucose
CAS Registry Number28161-52-6
SMILES
C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1
InChI KeySHZGCJCMOBCMKK-FPRJBGLDSA-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
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
StatusDetected and Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
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-2.4ALOGPS
logP-1.9ChemAxon
logS0.7ALOGPS
pKa (Strongest Acidic)11.3ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area90.15 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity34.38 m³·mol⁻¹ChemAxon
Polarizability15.28 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Ruminal Fluid
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Ruminal FluidDetected and Quantified763.813 +/- 751.731 uMNot SpecifiedNot SpecifiedNormal
    • Fozia Saleem, Sou...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Ruminal FluidDetected and Quantified2415.813 +/- 1248.434 uMNot SpecifiedNot SpecifiedRumen acidosis
    • Fozia Saleem, Sou...
 details
HMDB IDHMDB0003081
DrugBank IDDB04062
Phenol Explorer Compound IDNot Available
FooDB IDFDB023106
KNApSAcK IDNot Available
Chemspider ID388721
KEGG Compound IDC02095
BioCyc IDCPD-13293
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID3284
PubChem Compound439650
PDB IDNot Available
ChEBI ID27442
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available