Erythritol
Identification
- Name
- Erythritol
- Accession Number
- DB04481
- Description
Erythritol is a four-carbon sugar that is found in algae, fungi, and lichens. It is twice as sweet as sucrose and can be used as a coronary vasodilator.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Erythritol (DB04481)
- Weight
- Average: 122.1198
Monoisotopic: 122.057908808 - Chemical Formula
- C4H10O4
- Synonyms
- (2R,3S)-butane-1,2,3,4-tetrol
- Erythrit
- Erythrite
- Erythritol
- Erythro-tetritol
- Erythrol
- L-erythritol
- Mesoerythritol
- Phycite
- Phycitol
- External IDs
- E-968
- E968
- F 8015
- INS NO.968
- INS-968
- NIK 242
- NIK-242
- NSC-8099
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism U5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase Not Available Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) - 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
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- 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
Products
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Sugar alcohols
- Alternative Parents
- Secondary alcohols / Polyols / Primary alcohols / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic acyclic compound / Hydrocarbon derivative / Polyol / Primary alcohol / Secondary alcohol / Sugar alcohol
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- butane-1,2,3,4-tetrol (CHEBI:17113)
Chemical Identifiers
- UNII
- RA96B954X6
- CAS number
- 149-32-6
- InChI Key
- UNXHWFMMPAWVPI-ZXZARUISSA-N
- InChI
- InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
- IUPAC Name
- (2R,3S)-butane-1,2,3,4-tetrol
- SMILES
- OC[[email protected]](O)[[email protected]](O)CO
References
- Synthesis Reference
Tsutomu Kondou, "Meso-erythritol hard candy and process for producing the same." U.S. Patent US4883685, issued July, 1985.
US4883685- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0002994
- PubChem Compound
- 222285
- PubChem Substance
- 46507139
- ChemSpider
- 192963
- ChEBI
- 17113
- ChEMBL
- CHEMBL349605
- ZINC
- ZINC000017971067
- PDBe Ligand
- MRY
- Wikipedia
- Erythritol
- PDB Entries
- 1t7l / 1xdj / 1xpg / 1xr2 / 3fst / 3fsu / 3lqf / 3nw8 / 3nwa / 3nwd … show 12 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Peri-Implantitis and Peri-implant Mucositis 1 4 Completed Treatment Periodontal Pocket 1
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 1160.0 mg/mL ALOGPS logP -2 ALOGPS logP -2.5 ChemAxon logS 0.98 ALOGPS pKa (Strongest Acidic) 13.04 ChemAxon pKa (Strongest Basic) -3 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 4 ChemAxon Polar Surface Area 80.92 Å2 ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 26.48 m3·mol-1 ChemAxon Polarizability 11.62 Å3 ChemAxon Number of Rings 0 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 + 0.6645 Blood Brain Barrier - 0.6283 Caco-2 permeable - 0.8957 P-glycoprotein substrate Non-substrate 0.6012 P-glycoprotein inhibitor I Non-inhibitor 0.9528 P-glycoprotein inhibitor II Non-inhibitor 0.9504 Renal organic cation transporter Non-inhibitor 0.9263 CYP450 2C9 substrate Non-substrate 0.8731 CYP450 2D6 substrate Non-substrate 0.8734 CYP450 3A4 substrate Non-substrate 0.7427 CYP450 1A2 substrate Non-inhibitor 0.8171 CYP450 2C9 inhibitor Non-inhibitor 0.9264 CYP450 2D6 inhibitor Non-inhibitor 0.9328 CYP450 2C19 inhibitor Non-inhibitor 0.9061 CYP450 3A4 inhibitor Non-inhibitor 0.9348 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9548 Ames test Non AMES toxic 0.9132 Carcinogenicity Non-carcinogens 0.7872 Biodegradation Ready biodegradable 0.7865 Rat acute toxicity 1.3471 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9611 hERG inhibition (predictor II) Non-inhibitor 0.903
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
- Kind
- Protein
- Organism
- Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Catalyzes the transfer of a methyl group from 5-methyltetrahydrofolate to homocysteine resulting in methionine formation.
- Gene Name
- metE
- Uniprot ID
- Q9X112
- Uniprot Name
- 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase
- Molecular Weight
- 85570.495 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Drug created on June 13, 2005 07:24 / Updated on September 18, 2020 02:47
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