CHEBI:82411 - Brilliant Blue

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Brilliant Blue
ChEBI ID CHEBI:82411
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H34N2Na2O9S3
Net Charge 0
Average Mass 792.84800
Monoisotopic Mass 792.122
InChI InChI=1S/C37H36N2O9S3.2Na/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);;/q;2*+1/p-2
InChIKey SGHZXLIDFTYFHQ-UHFFFAOYSA-L
SMILES [Na+].[Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccccc1S([O-])(=O)=O
ChEBI Ontology
Outgoing Brilliant Blue (CHEBI:82411) is a organic molecular entity (CHEBI:50860)
Synonym Source
Brilliant Blue FCF, disodium salt KEGG COMPOUND
Manual Xref Database
C19352 KEGG COMPOUND
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Registry Number Type Source
3844-45-9 CAS Registry Number KEGG COMPOUND