Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110488
Identification
Name: GDP-mannuronate
Description:A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-D-mannuronic acid; major species at pH 7.3.
Structure
Thumb
Synonyms:
  • GDP-mannuronic acid
  • GDP-D-mannuronic acid
  • GDP-D-mannuronate
Chemical Formula: C16H20N5O17P2
Average Molecular Weight: 616.3
Monoisotopic Molecular Weight: 619.05641736
InChI Key: DNBSDUDYNPJVCN-MVUGPJFESA-K
InChI: InChI=1S/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,31)(H,32,33)(H3,17,19,20,27)/p-3/t3-,5-,6+,7+,8-,9+,10+,13-,15?/m1/s1
CAS number: Not Available
IUPAC Name:guanosine 5'-[3-(D-mannopyranosyluronate) diphosphate]
Traditional IUPAC Name: Not Available
SMILES:C(OP(=O)([O-])OP(=O)([O-])OC1(OC(C(=O)[O-])C(O)C(O)C(O)1))C2(OC(C(O)C(O)2)N4(C=NC3(C(=O)NC(N)=NC=34)))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class Purine nucleotides
Sub ClassPurine nucleotide sugars
Direct Parent Purine nucleotide sugars
Alternative Parents
Substituents
  • Purine nucleotide sugar
  • Purine ribonucleoside diphosphate
  • Purine ribonucleoside monophosphate
  • Pentose-5-phosphate
  • Pentose phosphate
  • Glucuronic acid or derivatives
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • 6-oxopurine
  • Hypoxanthine
  • Purine
  • Imidazopyrimidine
  • Pyrimidone
  • Beta-hydroxy acid
  • Aminopyrimidine
  • Hydroxy acid
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Pyrimidine
  • Pyran
  • Vinylogous amide
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • Amino acid or derivatives
  • Lactam
  • Amino acid
  • Organoheterocyclic compound
  • Polyol
  • Carboxylic acid derivative
  • Azacycle
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Carboxylic acid
  • Carbonyl group
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic nitrogen compound
  • Alcohol
  • Amine
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a GDP-sugar (CPD-1828)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer11966153 PubChem
Molecular Weight616.302 g/molPubChem
XLogP3-AA-6.3 PubChem
Hydrogen Bond Donor Count7 PubChem
Hydrogen Bond Acceptor Count18 PubChem
Rotatable Bond Count8 PubChem
Exact Mass616.033 g/molPubChem
Monoisotopic Mass616.033 g/molPubChem
Topological Polar Surface Area353 A^2PubChem
Heavy Atom Count40 PubChem
Formal Charge-3 PubChem
Complexity1110 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count8 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
ChEBI17466
ChemSpider10140147
KEGGC00976
PubChem11966153