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CHEBI:138824 - Erioglaucine A

ChEBI IDCHEBI:138824
ChEBI NameErioglaucine A
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Last Modified25 October 2017
Submittermwilliams
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FormulaC37H34N2O9S3.2H4N
Net Charge0
Average Mass782.963
Monoisotopic Mass782.21139
SMILES[H]C1=C([H])C(=[N+](C([H])([H])c2c([H])c([H])c([H])c(S(=O)(=O)[O-])c2[H])C([H])([H])C([H])([H])[H])C([H])=C([H])C1=C(c1c([H])c([H])c(N(C([H])([H])c2c([H])c([H])c([H])c(S(=O)(=O)[O-])c2[H])C([H])([H])C([H])([H])[H])c([H])c1[H])c1c([H])c([H])c([H])c([H])c1S(=O)(=O)[O-].[H][N+]([H])([H])[H].[H][N+]([H])([H])[H]
InChIInChI=1S/C37H36N2O9S3.2H3N/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);2*1H3
InChIKeyHMEKVHWROSNWPD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Erioglaucine A (CHEBI:138824) is a aromatic amine (CHEBI:33860)
Synonyms  Source
Acid Blue 9ChEBI
Alphazurine FGChEBI