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CHEBI:47301 - CIBACRON BLUE

Default Structure
ChEBI IDCHEBI:47301
ChEBI NameCIBACRON BLUE
Stars
DownloadsMolfile
FormulaC29H20ClN7O11S3
Net Charge0
Average Mass774.171
Monoisotopic Mass773.00715
SMILES[H]OS(=O)(=O)c1c([H])c(N([H])c2c([H])c([H])c(N([H])c3nc(Cl)nc(N([H])c4c([H])c([H])c([H])c([H])c4S(=O)(=O)O[H])n3)c(S(=O)(=O)O[H])c2[H])c2c(c1N([H])[H])C(=O)c1c([H])c([H])c([H])c([H])c1C2=O
InChIInChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)
InChIKeyYKCWQPZFAFZLBI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
CIBACRON BLUE (CHEBI:47301) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-amino-4-{[4-({4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acidPDBeChem
CIBACRON BLUEPDBeChem
Manual XrefsDatabases
CBDPDBeChem