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CHEBI:149523 - candesartan-2-N-β-D-glucuronide(2−)

ChEBI IDCHEBI:149523
ChEBI Namecandesartan-2-N-β-D-glucuronide(2−)
Stars
ASCII Namecandesartan-2-N-beta-D-glucuronide(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H26N6O9
Net Charge-2
Average Mass614.571
Monoisotopic Mass614.17722
SMILESCCOc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nnn([C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)n2)cc1
InChIInChI=1S/C30H28N6O9/c1-2-44-30-31-20-9-5-8-19(28(40)41)21(20)35(30)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)26-32-34-36(33-26)27-24(39)22(37)23(38)25(45-27)29(42)43/h3-13,22-25,27,37-39H,2,14H2,1H3,(H,40,41)(H,42,43)/p-2/t22-,23-,24+,25-,27+/m0/s1
InChIKeyLYKDYQVBGWTPMW-GAYSTUHSSA-L
ChEBI Ontology
Outgoing Relation(s)
candesartan-2-N-β-D-glucuronide(2−) (CHEBI:149523) is a β-D-glucuronoside(1−) (CHEBI:132367)
UniProt Name  Source
candesartan-2-N-β-D-glucuronideUniProt
Citations