UDP-2,3-diacetamido-2,3-dideoxy-α-D-mannuronate (PAMDB120353)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120353
Identification
Name: UDP-2,3-diacetamido-2,3-dideoxy-α-D-mannuronate
Description:Trianion of UDP-2,3-diacetamido-2,3-dideoxy-α-D-mannuronic acid arising from deprotonation of carboxylic acid and diphosphate functions.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • UDP-α-D-ManNAc 3NAcA
  • UDP-2,3-diacetamido-2,3-dideoxy-α-D-mannuronic acid
Chemical Formula: C19H25N4O18P2
Average Molecular Weight: 659.37
Monoisotopic Molecular Weight: 662.0874
InChI Key: GZLIMKLKXDFTJR-ZVWGYSLJSA-K
InChI:InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/p-3/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(=O)NC3(C(NC(=O)C)C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))OC(C(=O)[O-])C(O)3)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class Pyrimidine nucleotides
Sub ClassPyrimidine nucleotide sugars
Direct Parent Pyrimidine nucleotide sugars
Alternative Parents
Substituents
  • Pyrimidine nucleotide sugar
  • Pyrimidine ribonucleoside diphosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Gamma amino acid or derivatives
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Beta-hydroxy acid
  • Pyrimidone
  • Hydropyrimidine
  • Hydroxy acid
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Pyran
  • Pyrimidine
  • Alkyl phosphate
  • Acetamide
  • Tetrahydrofuran
  • Vinylogous amide
  • Heteroaromatic compound
  • Urea
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxamide group
  • Lactam
  • Carboxylic acid
  • Carboxylic acid derivative
  • Azacycle
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Carbonyl group
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a disaccharide (CPD-10314)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight659.367 g/molPubChem
XLogP3-AA-5.9 PubChem
Hydrogen Bond Donor Count6 PubChem
Hydrogen Bond Acceptor Count18 PubChem
Rotatable Bond Count10 PubChem
Exact Mass659.064 g/molPubChem
Monoisotopic Mass659.064 g/molPubChem
Topological Polar Surface Area335 A^2PubChem
Heavy Atom Count43 PubChem
Formal Charge-3 PubChem
Complexity1240 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count9 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:
UDP-2,3-diacetamido-2,3-dideoxy-α-D-glucuronate → UDP-2,3-diacetamido-2,3-dideoxy-α-D-mannuronate
Pathways:
  • UDP-2,3-diacetamido-2,3-dideoxy-α-D-mannuronate biosynthesisPWY-7090
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI58746
    PUBCHEM25201685