alpha-L-fucose
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Identification
- Generic Name
- alpha-L-fucose
- DrugBank Accession Number
- DB04473
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 164.1565
Monoisotopic: 164.068473494 - Chemical Formula
- C6H12O5
- Synonyms
- α-L-Fuc
- α-L-fucose
- α-L-Fucp
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UGenome polyprotein Not Available UEnvelope glycoprotein gp160 Not Available SIV-mac UIg gamma-1 chain C region Not Available Humans UGenome polyprotein Not Available DENV-3 - 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
- L-fucopyranose (CHEBI:42548)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- OF086I9H7W
- CAS number
- 6696-41-9
- InChI Key
- SHZGCJCMOBCMKK-SXUWKVJYSA-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+/m0/s1
- IUPAC Name
- (2R,3S,4R,5S,6S)-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
- PDB Entries
- 1ah1 / 1ax0 / 1ax1 / 1ax2 / 1axy / 1axz / 1b0f / 1b41 / 1b5f / 1bcr … show 1937 more
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 15.21 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00os-0900000000-2fd25b416f5022d25dd5 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-4900000000-5e9626749e20ae1bd20e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-9600000000-bc55946922c083913fd9 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0596-9100000000-b68b73d7078851964dd3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4u-9000000000-f302506ece1058fcb5ae Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-9521539248f8e5260493 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 132.7398684 predictedDarkChem Lite v0.1.0 [M-H]- 137.65947 predictedDeepCCS 1.0 (2019) [M+H]+ 135.2056684 predictedDarkChem Lite v0.1.0 [M+H]+ 139.98146 predictedDeepCCS 1.0 (2019) [M+Na]+ 132.4533684 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.61845 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsGenome polyprotein
- Kind
- Protein
- Organism
- Not Available
- Pharmacological action
- Unknown
- General Function
- Serine-type peptidase activity
- Specific Function
- Envelope protein E binding to host cell surface receptor is followed by virus internalization through clathrin-mediated endocytosis. Envelope protein E is subsequently involved in membrane fusion b...
- Gene Name
- Not Available
- Uniprot ID
- P27914
- Uniprot Name
- Genome polyprotein
- Molecular Weight
- 187438.87 Da
References
2. DetailsEnvelope glycoprotein gp160
- Kind
- Protein
- Organism
- SIV-mac
- Pharmacological action
- Unknown
- General Function
- The surface protein gp120 (SU) attaches the virus to the host lymphoid cell by binding to the primary receptor CD4. This interaction induces a structural rearrangement creating a high affinity binding site for a chemokine coreceptor like CCR5. This peculiar 2 stage receptor-interaction strategy allows gp120 to maintain the highly conserved coreceptor-binding site in a cryptic conformation, protected from neutralizing antibodies. These changes are transmitted to the transmembrane protein gp41 and are thought to activate its fusogenic potential by unmasking its fusion peptide (By similarity).
- Specific Function
- Structural molecule activity
- Gene Name
- env
- Uniprot ID
- P05884
- Uniprot Name
- Envelope glycoprotein gp160
- Molecular Weight
- Not Available
3. DetailsIg gamma-1 chain C region
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Immunoglobulin receptor binding
- Specific Function
- Not Available
- Gene Name
- IGHG1
- Uniprot ID
- P01857
- Uniprot Name
- Ig gamma-1 chain C region
- Molecular Weight
- 36105.695 Da
4. DetailsGenome polyprotein
- Kind
- Protein
- Organism
- DENV-3
- Pharmacological action
- Unknown
- General Function
- Structural molecule activity
- Specific Function
- Capsid protein C self-assembles to form an icosahedral capsid about 30 nm in diameter. The capsid encapsulates the genomic RNA.prM acts as a chaperone for envelope protein E during intracellular vi...
- Gene Name
- Not Available
- Uniprot ID
- P27915
- Uniprot Name
- Genome polyprotein
- Molecular Weight
- 378060.625 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52