P. aeruginosa Metabolome Database: 5-deoxy-D-glucuronate (PAMDB110764)

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	PAMDB110764
Identification
Name:	5-deoxy-D-glucuronate
Description:	Conjugate base of 5-deoxy-D-glucuronic acid.
Structure	🔍MOL SDF PDB SMILES InChI View Structure Structure for 5-deoxy-D-glucuronate (PAMDB110764)
Synonyms:	carboxylic acid carboxylate' WIDTH 248);" onmouseout="return nd();">a carboxylate → a monocarboxylate

Chemical Formula: C₆H₉O₆ Average Molecular Weight: 177.13Monoisotopic Molecular Weight: 178.0477380536InChI Key: HPITTXOWHLWIEK-IWGUZYHVSA-MInChI: InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h2-4,6,8-9,12H,1H2,(H,10,11)/p-1/t3-,4+,6+/m1/s1CAS number: Not AvailableIUPAC Name:5-deoxy-D-xylo-hexuronate Traditional IUPAC Name: Not AvailableSMILES:C(C(=O)[O-])C(O)C(O)C(O)C=O Chemical Taxonomy Taxonomy DescriptionThis compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. Kingdom Organic compounds Super ClassOrganic oxygen compounds Class Organooxygen compounds Sub ClassCarbohydrates and carbohydrate conjugates Direct Parent Sugar acids and derivatives Alternative Parents

Substituents

Hexose monosaccharide
Medium-chain hydroxy acid
Medium-chain fatty acid
Beta-hydroxy acid
Sugar acid
Hydroxy fatty acid
Beta-hydroxy aldehyde
Fatty acyl
Fatty acid
Hydroxy acid
Monosaccharide
Alpha-hydroxyaldehyde
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Polyol
Monocarboxylic acid or derivatives
Alcohol
Carbonyl group
Hydrocarbon derivative
Aldehyde
Organic oxide
Organic anion
Aliphatic acyclic compound

Molecular Framework Aliphatic acyclic compoundsExternal Descriptors Not Available Physical PropertiesState: Not AvailableCharge:-1 Melting point: Not AvailableExperimental Properties: Not AvailablePredicted Properties

Property	Value	Source
Molecular Weight	177.132 g/mol	PubChem
XLogP3-AA	-2	PubChem
Hydrogen Bond Donor Count	3	PubChem
Hydrogen Bond Acceptor Count	6	PubChem
Rotatable Bond Count	4	PubChem
Exact Mass	177.04 g/mol	PubChem
Monoisotopic Mass	177.04 g/mol	PubChem
Topological Polar Surface Area	118 A^2	PubChem
Heavy Atom Count	12	PubChem
Formal Charge	-1	PubChem
Complexity	162	PubChem
Isotope Atom Count	0	PubChem
Defined Atom Stereocenter Count	3	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:

Pathways:

Not Available

Resource	Link
ChEBI	58852
PubChem	46878459

5-deoxy-D-glucuronate (PAMDB110764)

Structure for 5-deoxy-D-glucuronate (PAMDB110764)