beta-D-fucose
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Identification
- Generic Name
- beta-D-fucose
- DrugBank Accession Number
- DB04062
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 164.1565
Monoisotopic: 164.068473494 - Chemical Formula
- C6H12O5
- Synonyms
- β-D-Fuc
- β-D-fucose
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UL-arabinose-binding periplasmic protein Not Available Escherichia coli (strain K12) UArabinose operon regulatory protein Not Available Escherichia coli (strain K12) - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound 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.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Hexoses
- Alternative Parents
- Oxanes / Secondary alcohols / Hemiacetals / Polyols / Oxacyclic compounds / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Hemiacetal / Hexose monosaccharide / Hydrocarbon derivative / Organoheterocyclic compound / Oxacycle / Oxane / Polyol / Secondary alcohol
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- D-fucopyranose (CHEBI:27442)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ZU9GS9H79G
- CAS number
- 28161-52-6
- InChI Key
- SHZGCJCMOBCMKK-FPRJBGLDSA-N
- InChI
- 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
- IUPAC Name
- (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol
- SMILES
- C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0003081
- KEGG Compound
- C02095
- PubChem Compound
- 439650
- PubChem Substance
- 46508752
- ChemSpider
- 388721
- ChEBI
- 27442
- ZINC
- ZINC000001532816
- PDBe Ligand
- FCB
- PDB Entries
- 1abf / 1apb / 2aac / 3wh7 / 4wut / 7abp
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 827.0 mg/mL ALOGPS logP -2.4 ALOGPS logP -1.9 Chemaxon logS 0.7 ALOGPS pKa (Strongest Acidic) 11.3 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 90.15 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 34.38 m3·mol-1 Chemaxon Polarizability 15.28 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.5618 Blood Brain Barrier + 0.514 Caco-2 permeable - 0.6509 P-glycoprotein substrate Non-substrate 0.6253 P-glycoprotein inhibitor I Non-inhibitor 0.956 P-glycoprotein inhibitor II Non-inhibitor 0.9917 Renal organic cation transporter Non-inhibitor 0.9389 CYP450 2C9 substrate Non-substrate 0.8017 CYP450 2D6 substrate Non-substrate 0.887 CYP450 3A4 substrate Non-substrate 0.7106 CYP450 1A2 substrate Non-inhibitor 0.9489 CYP450 2C9 inhibitor Non-inhibitor 0.9723 CYP450 2D6 inhibitor Non-inhibitor 0.9736 CYP450 2C19 inhibitor Non-inhibitor 0.9775 CYP450 3A4 inhibitor Non-inhibitor 0.9227 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9502 Ames test Non AMES toxic 0.8645 Carcinogenicity Non-carcinogens 0.9321 Biodegradation Ready biodegradable 0.628 Rat acute toxicity 1.4658 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9649 hERG inhibition (predictor II) Non-inhibitor 0.9726
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 131.2234684 predictedDarkChem Lite v0.1.0 [M-H]- 136.77386 predictedDeepCCS 1.0 (2019) [M+H]+ 132.4243684 predictedDarkChem Lite v0.1.0 [M+H]+ 139.10988 predictedDeepCCS 1.0 (2019) [M+Na]+ 130.5500684 predictedDarkChem Lite v0.1.0 [M+Na]+ 145.57588 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsL-arabinose-binding periplasmic protein
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Monosaccharide-transporting atpase activity
- Specific Function
- Involved in the high-affinity L-arabinose membrane transport system. Binds with high affinity to arabinose, but can also bind D-galactose (approximately 2-fold reduction) and D-fucose (approximatel...
- Gene Name
- araF
- Uniprot ID
- P02924
- Uniprot Name
- L-arabinose-binding periplasmic protein
- Molecular Weight
- 35540.67 Da
References
2. DetailsArabinose operon regulatory protein
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Transcription factor activity, sequence-specific dna binding
- Specific Function
- This protein controls the expression of at least six genes that are involved in the transport and catabolism of L-arabinose. It regulates initiation of transcription of the araBAD operon and it als...
- Gene Name
- araC
- Uniprot ID
- P0A9E0
- Uniprot Name
- Arabinose operon regulatory protein
- Molecular Weight
- 33383.625 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52