N-acetyl-D-galactosamine 6-phosphate (PAMDB120384)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120384
Identification
Name: N-acetyl-D-galactosamine 6-phosphate
Description:An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-acetyl-D-galactosamine 6-phosphate.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • N-acetyl-D-galactosamine 6-phosphate
  • N-acetyl-D-galactosamine 6-phosphate dianion
Chemical Formula: C8H14NO9P
Average Molecular Weight: 299.174
Monoisotopic Molecular Weight: 301.05627
InChI Key: BRGMHAYQAZFZDJ-KEWYIRBNSA-L
InChI:InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/p-2/t4-,5-,6+,7-,8?/m1/s1
CAS number: Not Available
IUPAC Name:2-acetamido-2-deoxy-6-O-phosphonato-D-galactopyranose
Traditional IUPAC Name: Not Available
SMILES:CC(=O)NC1(C(O)OC(COP(=O)([O-])[O-])C(O)C(O)1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Acylaminosugars
Alternative Parents
Substituents
  • Acylaminosugar
  • Hexose phosphate
  • N-acyl-alpha-hexosamine
  • Monosaccharide phosphate
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Alkyl phosphate
  • Phosphoric acid ester
  • Acetamide
  • 1,2-diol
  • Carboxamide group
  • Hemiacetal
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Carboxylic acid derivative
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Alcohol
  • Organic nitrogen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a small molecule (N-ACETYL-D-MANNOSAMINE-6P)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer44229083 PubChem
Molecular Weight299.172 g/molPubChem
XLogP3-AA-4.4 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count9 PubChem
Rotatable Bond Count3 PubChem
Exact Mass299.041 g/molPubChem
Monoisotopic Mass299.041 g/molPubChem
Topological Polar Surface Area171 A^2PubChem
Heavy Atom Count19 PubChem
Formal Charge-2 PubChem
Complexity360 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 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:
Water + N-acetyl-D-galactosamine 6-phosphate → acetate + D-galactosamine 6-phosphate
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI71673
    PUBCHEM44229083
    LIGAND-CPDC06376