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CHEBI:87591 - SIS3 free base(1+)

ChEBI IDCHEBI:87591
ChEBI NameSIS3 free base(1+)
Stars
DefinitionAn ammonium ion resulting from the addition of a proton to the free base of SIS3.
Last Modified20 August 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaH.C28H27N3O3
Net Charge+1
Average Mass454.550
Monoisotopic Mass454.21252
SMILESCOc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccccc3)n(C)c3ncccc13)CC2.[H+]
InChIInChI=1S/C28H27N3O3/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31/h4-12,14,16-17H,13,15,18H2,1-3H3/p+1/b12-11+
InChIKeyIJYPHMXWKKKHGT-VAWYXSNFSA-O
ChEBI Ontology
Outgoing Relation(s)
SIS3 free base(1+) (CHEBI:87591) is a ammonium ion derivative (CHEBI:35274)
SIS3 free base(1+) (CHEBI:87591) is conjugate acid of SIS3 free base (CHEBI:87589)
Incoming Relation(s)
SIS3 (CHEBI:87461) has part SIS3 free base(1+) (CHEBI:87591)
SIS3 free base (CHEBI:87589) is conjugate base of SIS3 free base(1+) (CHEBI:87591)