P. aeruginosa Metabolome Database: β-D-mannose (PAMDB110560)

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	PAMDB110560
Identification
Name:	β-D-mannose
Description:	A D-mannopyranose in which the anomeric centre has β-configuration.
Structure	🔍MOL SDF PDB SMILES InChI View Structure Structure for β-D-mannose (PAMDB110560)
Synonyms:	a D-hexopyranose' WIDTH 176);" onmouseout="return nd();">a D-hexose → a D-aldohexose → a D-aldopyranose → D-mannopyranose
	all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → a hexose → a D-hexose → a D-aldohexose → D-mannose → D-mannopyranose
	all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → a hexose → an aldohexose → a D-aldohexose → a D-aldopyranose → D-mannopyranose
	all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → a hexose → an aldohexose → a D-aldohexose → D-mannose → D-mannopyranose
	all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → a hexose → mannose → D-mannose → D-mannopyranose
	all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → an aldose → a D-aldose → a D-aldohexose → a D-aldopyranose → D-mannopyranose
	all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → an aldose → a D-aldose → a D-aldohexose → D-mannose → D-mannopyranose
	all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → an aldose → an aldohexose → a D-aldohexose → a D-aldopyranose → D-mannopyranose
	all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → an aldose → an aldohexose → a D-aldohexose → D-mannose → D-mannopyranose
	all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → an aldose → an aldopyranose → a D-aldopyranose → D-mannopyranose
	an aldehyde or ketone → an aldehyde → an aldose → a D-aldose → a D-aldohexose → a D-aldopyranose → D-mannopyranose
	an aldehyde or ketone → an aldehyde → an aldose → a D-aldose → a D-aldohexose → D-mannose → D-mannopyranose
	an aldehyde or ketone → an aldehyde → an aldose → an aldohexose → a D-aldohexose → a D-aldopyranose → D-mannopyranose
	an aldehyde or ketone → an aldehyde → an aldose → an aldohexose → a D-aldohexose → D-mannose → D-mannopyranose
	an aldehyde or ketone → an aldehyde → an aldose → an aldopyranose → a D-aldopyranose → D-mannopyranose

Chemical Formula: C₆H₁₂O₆ Average Molecular Weight: 180.16Monoisotopic Molecular Weight: 180.0633881178InChI Key: WQZGKKKJIJFFOK-RWOPYEJCSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1CAS number: Not AvailableIUPAC Name:β-D-mannopyranose Traditional IUPAC Name: Not AvailableSMILES:C(O)C1(C(O)C(O)C(O)C(O)O1) Chemical Taxonomy Taxonomy DescriptionThis 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 ClassOrganic oxygen compounds Class Organooxygen compounds Sub ClassCarbohydrates and carbohydrate conjugates Direct Parent Hexoses Alternative Parents

Substituents

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

Molecular Framework Aliphatic heteromonocyclic compoundsExternal Descriptors

L-galactopyranose (L-GALACTOSE)

Physical PropertiesState: Not AvailableCharge:0 Melting point: Not AvailableExperimental Properties: Not AvailablePredicted Properties

Property	Value	Source
Molecular Weight	180.156 g/mol	PubChem
XLogP3-AA	-2.6	PubChem
Hydrogen Bond Donor Count	5	PubChem
Hydrogen Bond Acceptor Count	6	PubChem
Rotatable Bond Count	1	PubChem
Exact Mass	180.063 g/mol	PubChem
Monoisotopic Mass	180.063 g/mol	PubChem
Topological Polar Surface Area	110 A^2	PubChem
Heavy Atom Count	12	PubChem
Formal Charge	0	PubChem
Complexity	151	PubChem
Isotope Atom Count	0	PubChem
Defined Atom Stereocenter Count	5	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 PropertiesCellular Locations: Not AvailableReactions:

aldehydo-D-mannose → β-D-mannose

Pathways:

Not Available

Schneider C, Smith DF, Cummings RD, Boligan KF, Hamilton RG, Bochner BS, Miescher S, Simon HU, Pashov A, Vassilev T, von Gunten S (2015)The human IgG anti-carbohydrate repertoire exhibits a universal architecture and contains specificity for microbial attachment sites. Science translational medicine 7, Pubmed: 25568069
Mulakala C, Nerinckx W, Reilly PJ (2007)The fate of beta-D-mannopyranose after its formation by endoplasmic reticulum alpha-(1-->2)-mannosidase I catalysis. Carbohydrate research 342, Pubmed: 17157281

Not Available

Resource	Link
ChEBI	28563
ChemSpider	388747
DrugBank	DB02687
KEGG	C02209
MetaboLights	MTBLC28563
PubChem	439680

β-D-mannose (PAMDB110560)

Structure for β-D-mannose (PAMDB110560)