Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110614
Identification
Name: aldehydo-D-galacturonate
Description:Not Available
Structure
Thumb
Synonyms:
Chemical Formula: C6H9O7 Average Molecular Weight: 194.0426526757Monoisotopic Molecular Weight: 194.0426526757InChI Key: IAJILQKETJEXLJ-RSJOWCBRSA-MInChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/p-1/t2-,3+,4+,5-/m0/s1CAS number: Not AvailableIUPAC Name:Not Available Traditional IUPAC Name: Not AvailableSMILES:[CH](=O)C(O)C(O)C(O)C(O)C(=O)[O-] Chemical Taxonomy Taxonomy DescriptionThis compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Kingdom Organic compounds Super ClassOrganic oxygen compounds Class Organooxygen compounds Sub ClassCarbohydrates and carbohydrate conjugates Direct Parent Glucuronic acid derivatives Alternative Parents Substituents Molecular Framework Aliphatic acyclic compoundsExternal Descriptors Physical PropertiesState: Not AvailableCharge:Not Available Melting point: Not AvailableExperimental Properties: Not AvailablePredicted Properties
PropertyValueSource
Mass193.1312ChemAxon
logP-4.6212ChemAxon
H-bond acceptors7ChemAxon
H-bond donors4ChemAxon
Rotatable bonds5ChemAxon
PSA138.1200ChemAxon
RO5 violations0ChemAxon
RO3 violations4ChemAxon
Refractivity35.6327ChemAxon
Atoms22ChemAxon
Rings0ChemAxon
Heavy atoms13ChemAxon
Hydrogen atoms9ChemAxon
Heteroatoms7ChemAxon
N/O atoms7ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers4ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers4ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological PropertiesCellular Locations: Not AvailableReactions:
Pathways: