UDP-alpha-D-xylose
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Identification
- Generic Name
- UDP-alpha-D-xylose
- DrugBank Accession Number
- DB01713
- Background
The decarboxylation product of UDPglucuronic acid, which is used for formation of the xylosides of seryl hydroxyl groups in mucoprotein synthesis. Also forms plant xylans.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 536.2758
Monoisotopic: 536.04445569 - Chemical Formula
- C14H22N2O16P2
- Synonyms
- UDP-xylose
- Uridine-5'-diphosphate-xylopyranose
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UUDP-glucose 6-dehydrogenase Not Available Streptococcus pyogenes - 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 pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Pyrimidine nucleotides
- Sub Class
- Pyrimidine ribonucleotides
- Direct Parent
- Pyrimidine ribonucleoside diphosphates
- Alternative Parents
- Pentose phosphates / Glycosylamines / Monosaccharide phosphates / Organic pyrophosphates / Hydroxypyrimidines / Pyrimidones / Monoalkyl phosphates / Hydropyrimidines / Oxanes / Tetrahydrofurans show 9 more
- Substituents
- Alcohol / Alkyl phosphate / Aromatic heteromonocyclic compound / Azacycle / Glycosyl compound / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Hydroxypyrimidine / Monoalkyl phosphate show 23 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- UDP-sugar (CHEBI:16082)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- I839TB018F
- CAS number
- 3616-06-6
- InChI Key
- DQQDLYVHOTZLOR-OCIMBMBZSA-N
- InChI
- InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1
- IUPAC Name
- {[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid
- SMILES
- O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1dli / 3prj / 4wnh / 5ux7 / 5vr8 / 6c58 / 6ej7 / 6kvj / 6om8 / 6tec … show 1 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 13.6 mg/mL ALOGPS logP -1.3 ALOGPS logP -4.4 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 1.73 Chemaxon pKa (Strongest Basic) -3.5 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 271.31 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 100.49 m3·mol-1 Chemaxon Polarizability 42.12 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.9734 Blood Brain Barrier - 0.6363 Caco-2 permeable - 0.7969 P-glycoprotein substrate Non-substrate 0.6773 P-glycoprotein inhibitor I Non-inhibitor 0.7846 P-glycoprotein inhibitor II Non-inhibitor 0.9495 Renal organic cation transporter Non-inhibitor 0.9462 CYP450 2C9 substrate Non-substrate 0.6781 CYP450 2D6 substrate Non-substrate 0.8531 CYP450 3A4 substrate Non-substrate 0.5325 CYP450 1A2 substrate Non-inhibitor 0.8602 CYP450 2C9 inhibitor Non-inhibitor 0.8619 CYP450 2D6 inhibitor Non-inhibitor 0.8559 CYP450 2C19 inhibitor Non-inhibitor 0.8138 CYP450 3A4 inhibitor Non-inhibitor 0.5592 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8115 Ames test Non AMES toxic 0.7786 Carcinogenicity Non-carcinogens 0.8941 Biodegradation Not ready biodegradable 0.6101 Rat acute toxicity 2.3521 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9692 hERG inhibition (predictor II) Non-inhibitor 0.5268
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 228.2600043 predictedDarkChem Lite v0.1.0 [M-H]- 183.63483 predictedDeepCCS 1.0 (2019) [M+H]+ 231.1400043 predictedDarkChem Lite v0.1.0 [M+H]+ 185.53023 predictedDeepCCS 1.0 (2019) [M+Na]+ 228.1930043 predictedDarkChem Lite v0.1.0 [M+Na]+ 191.39006 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsUDP-glucose 6-dehydrogenase
- Kind
- Protein
- Organism
- Streptococcus pyogenes
- Pharmacological action
- Unknown
- General Function
- Udp-glucose 6-dehydrogenase activity
- Specific Function
- Catalyzes the formation of UDP-glucuronic acid which is required for capsular hyaluronic acid synthesis.
- Gene Name
- hasB
- Uniprot ID
- P0C0F4
- Uniprot Name
- UDP-glucose 6-dehydrogenase
- Molecular Weight
- 45482.795 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:51