UDP-N-acetyl-α-D-mannosaminouronate (PAMDB120018)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120018
Identification
Name: UDP-N-acetyl-α-D-mannosaminouronate
Description:A UDP-N-acetyl-D-mannosaminouronate(3−) in which the anomeric centre of the pyranose fragment has α-configuration.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • UDP-ManNAcA
Chemical Formula: C17H22N3O18P2
Average Molecular Weight: 618.318
Monoisotopic Molecular Weight: 621.06085
InChI Key: DZOGQXKQLXAPND-XHUKORKBSA-K
InChI:InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/p-3/t6-,8+,9-,10-,11+,12-,13+,14-,16-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(=O)NC1(C(O)C(C(C([O-])=O)OC1OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))O)
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-5-phosphate
  • Pentose phosphate
  • N-acyl-alpha-hexosamine
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Beta-hydroxy acid
  • Pyrimidone
  • Hydropyrimidine
  • Phosphoric acid ester
  • Pyran
  • Hydroxy acid
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Oxane
  • Monosaccharide
  • Pyrimidine
  • Tetrahydrofuran
  • Vinylogous amide
  • Acetamide
  • Heteroaromatic compound
  • Carboxamide group
  • Lactam
  • Urea
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Alcohol
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a small molecule (UDP-N-ACETYL-2-AMINO-D-GLUCURONATE)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer25246192 PubChem
Molecular Weight618.314 g/molPubChem
XLogP3-AA-5.9 PubChem
Hydrogen Bond Donor Count6 PubChem
Hydrogen Bond Acceptor Count18 PubChem
Rotatable Bond Count9 PubChem
Exact Mass618.037 g/molPubChem
Monoisotopic Mass618.037 g/molPubChem
Topological Polar Surface Area326 A^2PubChem
Heavy Atom Count40 PubChem
Formal Charge-3 PubChem
Complexity1130 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-N-acetyl-α-D-mannosamine + NAD+ + Water → UDP-N-acetyl-α-D-mannosaminouronate + NADH + Hydrogen ion
Pathways:
  • UDP-N-acetyl-α-D-mannosaminouronate biosynthesisPWY-7335
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    BIGG47733
    CHEBI70731
    PUBCHEM25246192
    LIGAND-CPDC04427