3-deoxy-D-manno-octulosonate 8-phosphate (PAMDB110001)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110001
Identification
Name: 3-deoxy-D-manno-octulosonate 8-phosphate
Description:A carbohydrate acid anion that is a trianion arising from deprotonation of the carboxy and phospho groups of 8-phospho-3-deoxy-D-manno-oct-2-ulosonic acid; major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 3-deoxy-D-manno-octulosonate 8-P
  • 2-dehydro-3-deoxy-D-octonate 8-P
  • 2-dehydro-3-deoxy-D-octonate 8-phosphate
  • Kdo-8P
Chemical Formula: C8H12O11P
Average Molecular Weight: 315.15
Monoisotopic Molecular Weight: 318.0351978346
InChI Key: RTNBXJBOAIDPME-SHUUEZRQSA-K
InChI: InChI=1S/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/p-3/t3-,5-,6-,7-/m1/s1
CAS number: Not Available
IUPAC Name:3-deoxy-8-O-phosphonato-D-manno-oct-2-ulosonate
Traditional IUPAC Name: Not Available
SMILES:C(C(C(C(C(COP([O-])([O-])=O)O)O)O)O)C(=O)C([O-])=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Monosaccharide phosphates
Alternative Parents
Substituents
  • Octose monosaccharide
  • Monosaccharide phosphate
  • Medium-chain keto acid
  • Sugar acid
  • Alpha-keto acid
  • Beta-hydroxy ketone
  • Keto acid
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Ketone
  • Secondary alcohol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Polyol
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a small molecule (KDO-8P)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer46173377 PubChem
Molecular Weight315.147 g/molPubChem
XLogP3-AA-4.2 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count11 PubChem
Rotatable Bond Count7 PubChem
Exact Mass315.012 g/molPubChem
Monoisotopic Mass315.012 g/molPubChem
Topological Polar Surface Area211 A^2PubChem
Heavy Atom Count20 PubChem
Formal Charge-3 PubChem
Complexity373 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 PubChem
Undefined Atom Stereocenter Count0 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
ChEBI58368
IAF126043894
KEGGC04478
PubChem46173377