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CHEBI:149482 - SN-38 O-β-D-glucuronoside(1−)

ChEBI IDCHEBI:149482
ChEBI NameSN-38 O-β-D-glucuronoside(1−)
Stars
ASCII NameSN-38 O-beta-D-glucuronoside(1-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H27N2O11
Net Charge-1
Average Mass567.527
Monoisotopic Mass567.16203
SMILESCCc1c2c(nc3ccc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
InChIInChI=1S/C28H28N2O11/c1-3-12-13-7-11(40-26-22(33)20(31)21(32)23(41-26)25(35)36)5-6-17(13)29-19-14(12)9-30-18(19)8-16-15(24(30)34)10-39-27(37)28(16,38)4-2/h5-8,20-23,26,31-33,38H,3-4,9-10H2,1-2H3,(H,35,36)/p-1/t20-,21-,22+,23-,26+,28-/m0/s1
InChIKeySSJQVDUAKDRWTA-CAYKMONMSA-M
ChEBI Ontology
Outgoing Relation(s)
SN-38 O-β-D-glucuronoside(1−) (CHEBI:149482) is a β-D-glucosiduronate (CHEBI:83411)
UniProt Name  Source
SN-38 O-β-D-glucuronideUniProt