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CHEBI:8991 - SN38 glucuronide carboxylate form

ChEBI IDCHEBI:8991
ChEBI NameSN38 glucuronide carboxylate form
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H29N2O12
Net Charge-1
Average Mass585.542
Monoisotopic Mass585.17260
SMILESCCc1c2c(nc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc13)-c1cc([C@@](O)(CC)C(=O)[O-])c(CO)c(=O)n1C2
InChIInChI=1S/C28H30N2O12/c1-3-12-13-7-11(41-26-22(34)20(32)21(33)23(42-26)25(36)37)5-6-17(13)29-19-14(12)9-30-18(19)8-16(15(10-31)24(30)35)28(40,4-2)27(38)39/h5-8,20-23,26,31-34,40H,3-4,9-10H2,1-2H3,(H,36,37)(H,38,39)/p-1/t20-,21-,22+,23-,26+,28-/m0/s1
InChIKeyQTDOSXMJZIEEDG-CAYKMONMSA-M
ChEBI Ontology
Outgoing Relation(s)
SN38 glucuronide carboxylate form (CHEBI:8991) is a glucosiduronic acid (CHEBI:24302)
Synonym  Source
SN38 glucuronide carboxylate formKEGG COMPOUND
Manual XrefsDatabases
C11375KEGG COMPOUND