UDP-glucuronic acid   Click here for help

GtoPdb Ligand ID: 1784

Synonyms: UDP glucuronic acid | UDP-glucuronate | UDPGA | uridine diphosphate glucuronic acid
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 18
Hydrogen bond donors 9
Rotatable bonds 9
Topological polar surface area 333.68
Molecular weight 580.03
XLogP -5.26
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OC1C(COP(=O)(OP(=O)(OC2OC(C(=O)O)C(C(C2O)O)O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O
Isomeric SMILES O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
InChI 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 Key HDYANYHVCAPMJV-LXQIFKJMSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Synonyms Click here for help
UDP glucuronic acid | UDP-glucuronate | UDPGA | uridine diphosphate glucuronic acid
Database Links Click here for help
BindingDB Ligand 50209665
CAS Registry No. 2616-64-0
ChEBI CHEBI:17200
ChEMBL Ligand CHEMBL228057
GtoPdb PubChem SID 135651587
PubChem CID 17473
RCSB PDB Ligand UGA
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Wikipedia Uridine_diphosphate_glucuronic_acid