CHEBI:138824 - Erioglaucine A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Erioglaucine A
ChEBI ID CHEBI:138824
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H42N4O9S3
Net Charge 0
Average Mass 782.950
Monoisotopic Mass 782.21139
InChI InChI=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
InChIKey HMEKVHWROSNWPD-UHFFFAOYSA-N
SMILES S([O-])(=O)(=O)C=1C(\C(\C2=C(C(=C(N(C(C3=C(C(S([O-])(=O)=O)=C(C(=C3[H])[H])[H])[H])([H])[H])C(C([H])([H])[H])([H])[H])C(=C2[H])[H])[H])[H])=C\4/C(=C(\C(=[N+](\C(C5=C(C(S([O-])(=O)=O)=C(C(=C5[H])[H])[H])[H])([H])[H])/C(C([H])([H])[H])([H])[H])\C(=C4[H])[H])[H])[H])=C(C(=C(C1[H])[H])[H])[H].[N+]([H])([H])([H])[H].[N+]([H])([H])([H])[H]
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Erioglaucine A (CHEBI:138824) is a aromatic amine (CHEBI:33860)
Synonyms Sources
Acid Blue 9 ChEBI
Alphazurine FG ChEBI
Last Modified
25 October 2017