2-keto-3-deoxy-D-glycero-D-galacto-nononate (PAMDB110164)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110164
Identification
Name: 2-keto-3-deoxy-D-glycero-D-galacto-nononate
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 2-keto-3-deoxy-D-glycero-D-galacto-nononic acid
  • KDN
  • 3-deoxy-D-glycero-D-galacto-nonulosonate
  • 3-deoxy-D-glycero-D-galacto-nonulosonic acid
Chemical Formula: C9H15O9
Average Molecular Weight: 267.21
Monoisotopic Molecular Weight: 268.0794321125
InChI Key: CLRLHXKNIYJWAW-YOQZMRDMSA-M
InChI: InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/p-1/t3-,4+,5+,6+,7+,9-/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(O)C(O)C([CH]1(OC(C([O-])=O)(O)CC(C1O)O))O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as c-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a C-glycosidic bond.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent C-glucuronides
Alternative Parents
Substituents
  • C-glucuronide
  • C-glycosyl compound
  • Glycosyl compound
  • Monosaccharide
  • Oxane
  • Pyran
  • Hemiacetal
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Primary alcohol
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a small molecule (CPD-10734)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight267.21 g/molPubChem
XLogP3-AA-2.8 PubChem
Hydrogen Bond Donor Count6 PubChem
Hydrogen Bond Acceptor Count9 PubChem
Rotatable Bond Count3 PubChem
Exact Mass267.072 g/molPubChem
Monoisotopic Mass267.072 g/molPubChem
Topological Polar Surface Area171 A^2PubChem
Heavy Atom Count18 PubChem
Formal Charge-1 PubChem
Complexity303 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count5 PubChem
Undefined Atom Stereocenter Count1 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 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
    External Links:
    ResourceLink
    PubChem44123322