DrugBank: D-Xylitol (DB01904)

targets (5)

Identification

Name

D-Xylitol

Accession Number

DB01904 (EXPT03268)

Type

small molecule

Groups

experimental

Description

A five-carbon sugar alcohol derived from xylose by reduction of the carbonyl group. It is as sweet as sucrose and used as a noncariogenic sweetener. [PubChem]

Structure

Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure

Synonyms

Not Available

Salts

Not Available

Brand names

Not Available

Brand mixtures

Not Available

Categories

Sweetening Agents

CAS number

488-81-3

Weight

Average: 152.1458
Monoisotopic: 152.068473494

Chemical Formula

C₅H₁₂O₅

InChI Key

InChIKey=HEBKCHPVOIAQTA-SCDXWVJYSA-N

InChI

InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+

Plain Text

IUPAC Name

(2R,3r,4S)-pentane-1,2,3,4,5-pentol

SMILES

OC[C@H](O)[C@@H](O)[C@H](O)CO

Plain Text

Mass Spec

Not Available

Taxonomy

Kingdom

Not Available

Classes

Not Available

Substructures

Not Available

Pharmacology

Indication

Not Available

Pharmacodynamics

Not Available

Mechanism of action

Not Available

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

Toxicity

Not Available

Affected organisms

Not Available

Pathways

Not Available

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage forms

Not Available

Prices

Not Available

Patents

Not Available

Properties

State

solid

Experimental Properties

Property	Value	Source
melting point	104 °C	PhysProp

Predicted Properties

Property	Value	Source
water solubility	6.64e+02 g/l	ALOGPS
logP	-2.5	ALOGPS
logP	-3.1	ChemAxon
logS	0.64	ALOGPS
pKa (strongest acidic)	12.76	ChemAxon
pKa (strongest basic)	-3	ChemAxon
physiological charge	0	ChemAxon
hydrogen acceptor count	5	ChemAxon
hydrogen donor count	5	ChemAxon
polar surface area	101.15	ChemAxon
rotatable bond count	4	ChemAxon
refractivity	32.44	ChemAxon
polarizability	14.42	ChemAxon

References

Synthesis Reference

Not Available

General Reference

Not Available

External Links

Resource	Link
KEGG Compound	C02895
PubChem Compound	6912
PubChem Substance	46506507
ChemSpider	804
ChEBI	16772
ChEMBL	16772
PharmGKB	PA451938
HET	XYL
Drug Product Database	2231395

ATC Codes

Not Available

AHFS Codes

Not Available

PDB Entries

1FX5

FDA label

Not Available

MSDS

Not Available

Interactions

Drug Interactions

Not Available

Food Interactions

Not Available

Targets
1. Xylose isomerase Pharmacological action: unknown D-xylose = D-xylulose Organism class: bacterial UniProt ID: P12070 Gene: xylA Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report 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 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 2. Xylose isomerase Pharmacological action: unknown Involved in D-xylose catabolism Organism class: bacterial UniProt ID: P24300 Gene: xylA Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report 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 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 3. Xylose isomerase Pharmacological action: unknown Involved in D-xylose catabolism Organism class: bacterial UniProt ID: P15587 Gene: xylA Protein Sequence: FASTA SNPs: SNPJam Report 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 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 4. Xylose isomerase Pharmacological action: unknown D-xylose = D-xylulose Organism class: bacterial UniProt ID: P12851 Gene: xylA Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report 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 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 5. Hyaluronate lyase Pharmacological action: unknown Cleaves hyaluronate chains at a beta-D-GalNAc- (1->4)-beta-D-GlcA bond, ultimately breaking the polysaccharide down to 3-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D- glucosamine Organism class: bacterial UniProt ID: Q54873 Gene: SP_0314 Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report 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 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

Targets

1. Xylose isomerase

Pharmacological action: unknown

D-xylose = D-xylulose

Organism class: bacterial
UniProt ID: P12070 Link_out

Gene: xylA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

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
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

2. Xylose isomerase

Pharmacological action: unknown

Involved in D-xylose catabolism

Organism class: bacterial
UniProt ID: P24300 Link_out

Gene: xylA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

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
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

3. Xylose isomerase

Pharmacological action: unknown

Involved in D-xylose catabolism

Organism class: bacterial
UniProt ID: P15587 Link_out

Gene: xylA
Protein Sequence: FASTA
SNPs: SNPJam Report Link_out

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
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

4. Xylose isomerase

Pharmacological action: unknown

D-xylose = D-xylulose

Organism class: bacterial
UniProt ID: P12851 Link_out

Gene: xylA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

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
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

5. Hyaluronate lyase

Pharmacological action: unknown

Cleaves hyaluronate chains at a beta-D-GalNAc- (1->4)-beta-D-GlcA bond, ultimately breaking the polysaccharide down to 3-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D- glucosamine

Organism class: bacterial
UniProt ID: Q54873 Link_out

Gene: SP_0314
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

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
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

Comments

Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:20