Showing metabocard for UDP-D-galacturonate (BMDB0012302)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:35:44 UTC
Update Date2020-04-22 15:49:32 UTC
BMDB IDBMDB0012302
Secondary Accession Numbers
  • BMDB12302
Metabolite Identification
Common NameUDP-D-galacturonate
DescriptionUDP-D-galacturonate, also known as udpgalacturonate, 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. UDP-D-galacturonate is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
UDPgalacturonateChEBI
Uridine 5'-(alpha-D-galactopyranosyluronic acid pyrophosphate)ChEBI
UDPgalacturonic acidGenerator
Uridine 5'-(a-D-galactopyranosyluronate pyrophosphate)Generator
Uridine 5'-(a-D-galactopyranosyluronic acid pyrophosphoric acid)Generator
Uridine 5'-(alpha-D-galactopyranosyluronate pyrophosphate)Generator
Uridine 5'-(alpha-D-galactopyranosyluronic acid pyrophosphoric acid)Generator
Uridine 5'-(α-D-galactopyranosyluronate pyrophosphate)Generator
Uridine 5'-(α-D-galactopyranosyluronic acid pyrophosphoric acid)Generator
UDP-D-Galacturonic acidGenerator
UDP-D-GalacturonateChEBI
UDP-a-D-GalacturonateGenerator
UDP-a-D-Galacturonic acidGenerator
UDP-alpha-D-GalacturonateGenerator
UDP-α-D-galacturonateGenerator
UDP-α-D-galacturonic acidGenerator
UDP-Gal-uaMeSH
Uridine diphosphogalacturonic acidMeSH
UDP-galacturonic acidMeSH
UDP-GalAHMDB
UDPGalAcHMDB
UDPGalurAcHMDB
Uridine diphosphate galacturonic acidHMDB
Uridine pyrophosphate galacturonic acidHMDB
Chemical FormulaC15H22N2O18P2
Average Molecular Weight580.2853
Monoisotopic Molecular Weight580.034284934
IUPAC Name(2S,3R,4S,5R,6R)-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Nameudp-galacturonic acid
CAS Registry Number50722-58-2
SMILES
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O
InChI Identifier
InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8-,9-,10-,11+,12-,14-/m1/s1
InChI KeyHDYANYHVCAPMJV-GXNRKQDOSA-N
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine nucleotide sugars
Direct ParentPyrimidine nucleotide sugars
Alternative Parents
Substituents
  • Pyrimidine nucleotide sugar
  • Pyrimidine ribonucleoside diphosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glucuronic acid or derivatives
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Beta-hydroxy acid
  • Monoalkyl phosphate
  • Pyrimidone
  • Hydropyrimidine
  • Hydroxy acid
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Pyran
  • Pyrimidine
  • Alkyl phosphate
  • Tetrahydrofuran
  • Vinylogous amide
  • Heteroaromatic compound
  • Secondary alcohol
  • Urea
  • Lactam
  • Carboxylic acid derivative
  • Carboxylic acid
  • Azacycle
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Polyol
  • Organooxygen compound
  • Alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxide
  • Carbonyl group
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.2ALOGPS
logP-4.7ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)1.72ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area308.61 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity106.32 m³·mol⁻¹ChemAxon
Polarizability46.96 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0012302
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028925
KNApSAcK IDC00007237
Chemspider ID21864803
KEGG Compound IDC00617
BioCyc IDUDP-D-GALACTURONATE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound15592253
PDB IDUGB
ChEBI ID16085
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available