P. aeruginosa Metabolome Database: β-D-xylopyranose (PAMDB110847)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 11:54:54 AM

Metabolite ID

PAMDB110847

Identification

Name:

β-D-xylopyranose

Description:

Not Available

Structure

🔍MOL SDF PDB SMILES InChI View Structure

Synonyms:

β-D-xylose

Chemical Formula:

C₅H₁₀O₅

Average Molecular Weight:

150.13

Monoisotopic Molecular Weight:

150.0528234315

InChI Key:

SRBFZHDQGSBBOR-KKQCNMDGSA-N

InChI:

InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1

CAS number:

Not Available

IUPAC Name:

β-D-xylopyranose

Traditional IUPAC Name:

Not Available

SMILES:

C1(OC(O)C(O)C(O)C(O)1)

Chemical Taxonomy

Taxonomy Description

This compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentoses

Alternative Parents

Substituents

Pentose monosaccharide
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-xylose (XYLOSE)

Physical Properties

State:

Not Available

Charge:

Melting point:

Not Available

Experimental Properties:

Not Available

Predicted Properties

Property	Value	Source
Molecular Weight	150.13 g/mol	PubChem
XLogP3-AA	-2.5	PubChem
Hydrogen Bond Donor Count	4	PubChem
Hydrogen Bond Acceptor Count	5	PubChem
Rotatable Bond Count	0	PubChem
Exact Mass	150.053 g/mol	PubChem
Monoisotopic Mass	150.053 g/mol	PubChem
Topological Polar Surface Area	90.2 A^2	PubChem
Heavy Atom Count	10	PubChem
Formal Charge	0	PubChem
Complexity	117	PubChem
Isotope Atom Count	0	PubChem
Defined Atom Stereocenter Count	4	PubChem
Undefined Atom Stereocenter Count	0	PubChem
Defined Bond Stereocenter Count	0	PubChem
Undefined Bond Stereocenter Count	0	PubChem
Covalently-Bonded Unit Count	1	PubChem

Biological Properties

Cellular Locations:

Not Available

Reactions:

Pathways:

Spectra

Spectra:

Not Available

References

References:

Not Available

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link
ChEBI	28161
ChemSpider	111589
KEGG	C02096
MetaboLights	MTBLC28161
PubChem	125409

β-D-xylopyranose (PAMDB110847)

Structure for β-D-xylopyranose (PAMDB110847)