CHEBI:149522 - candesartan O-β-D-glucuronoside(2−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name candesartan O-β-D-glucuronoside(2−)
ChEBI ID CHEBI:149522
ChEBI ASCII Name candesartan O-beta-D-glucuronoside(2-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H26N6O9
Net Charge -2
Average Mass 614.572
Monoisotopic Mass 614.17722
InChI InChI=1S/C30H28N6O9/c1-2-43-30-31-20-9-5-8-19(28(42)45-29-24(39)22(37)23(38)25(44-29)27(40)41)21(20)36(30)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)26-32-34-35-33-26/h3-13,22-25,29,37-39H,2,14H2,1H3,(H2,32,33,34,35,40,41)/p-2/t22-,23-,24+,25-,29-/m0/s1
InChIKey QUWFWLVOMRZLER-GMQKQUAPSA-L
SMILES C1(=CC=C(C=C1)CN2C3=C(C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C([O-])=O)O)O)O)C=CC=C3N=C2OCC)C=5C=CC=CC5C6=NN=N[N-]6
ChEBI Ontology
Outgoing candesartan O-β-D-glucuronoside(2−) (CHEBI:149522) is a β-D-glucosiduronate (CHEBI:83411)
Synonym Source
candesartan O-β-D-glucuronoside UniProt
Citation Waiting for Citations Type Source
18674515 PubMed citation SUBMITTER