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CHEBI:230533 - sulfosungeidine E

ChEBI IDCHEBI:230533
ChEBI Namesulfosungeidine E
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H22NO7S2
Net Charge-1
Average Mass572.640
Monoisotopic Mass572.08432
SMILESCC1=CC(=O)[C@H]2c3ccccc3[C@H]3[C@@H]1[C@@H]2CN3c1ccc2c3c(c4c(cc13)C=C[C@@H](O)[C@@H]4OS(=O)(=O)[O-])SC2=O
InChIInChI=1S/C30H23NO7S2/c1-13-10-22(33)25-15-4-2-3-5-16(15)27-23(13)19(25)12-31(27)20-8-7-17-26-18(20)11-14-6-9-21(32)28(38-40(35,36)37)24(14)29(26)39-30(17)34/h2-11,19,21,23,25,27-28,32H,12H2,1H3,(H,35,36,37)/p-1/t19-,21+,23-,25-,27-,28-/m0/s1
InChIKeyAGGXWTWEDJRFOX-LAQSNJLJSA-M
ChEBI Ontology
Outgoing Relation(s)
sulfosungeidine E (CHEBI:230533) has functional parent Sungeidine E (CHEBI:220885)
sulfosungeidine E (CHEBI:230533) is a benzazepine (CHEBI:35676)
sulfosungeidine E (CHEBI:230533) is a organosulfate oxoanion (CHEBI:58958)
UniProt Name  Source
sulfosungeidine EUniProt
Citations