CHEBI:149528 - zolarsartan-2-N-β-D-glucuronide(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 zolarsartan-2-N-β-D-glucuronide(2−)
ChEBI ID CHEBI:149528
ChEBI ASCII Name zolarsartan-2-N-beta-D-glucuronide(2-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H26BrClN6O9
Net Charge -2
Average Mass 729.930
Monoisotopic Mass 728.06441
InChI InChI=1S/C30H28BrClN6O9/c1-2-3-8-18-33-26(32)20(29(42)43)37(18)12-13-9-10-17-16(11-13)19(31)24(46-17)14-6-4-5-7-15(14)27-34-36-38(35-27)28-23(41)21(39)22(40)25(47-28)30(44)45/h4-7,9-11,21-23,25,28,39-41H,2-3,8,12H2,1H3,(H,42,43)(H,44,45)/p-2/t21-,22-,23+,25-,28+/m0/s1
InChIKey BVTXDDRVQANRRF-WXCVBFKSSA-L
SMILES C=1(C2=CC=CC=C2C=3N=NN(N3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C([O-])=O)O)O)O)OC=5C=CC(=CC5C1Br)CN6C(=NC(=C6C(=O)[O-])Cl)CCCC
ChEBI Ontology
Outgoing zolarsartan-2-N-β-D-glucuronide(2−) (CHEBI:149528) is a β-D-glucuronoside(1−) (CHEBI:132367)
zolarsartan-2-N-β-D-glucuronide(2−) (CHEBI:149528) is a carbohydrate acid anion (CHEBI:33721)
Synonym Source
zolarsartan-2-N-β-D-glucuronide UniProt
Citation Waiting for Citations Type Source
18674515 PubMed citation SUBMITTER