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CHEBI:52098 - JOJO-1 dye

ChEBI IDCHEBI:52098
ChEBI NameJOJO-1 dye
Stars
Last Modified29 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC47H56N8O2.4I
Net Charge0
Average Mass1272.635
Monoisotopic Mass1272.07052
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(=C([H])c3nc4c(ccc[n+]4C)o3)c3ccccc32)c2ccccc21)c1nc2c(ccc[n+]2C)o1.[I-].[I-].[I-].[I-]
InChIInChI=1S/C47H56N8O2.4HI/c1-50-24-11-20-42-46(50)48-44(56-42)34-36-22-28-52(40-18-9-7-16-38(36)40)26-13-30-54(3,4)32-15-33-55(5,6)31-14-27-53-29-23-37(39-17-8-10-19-41(39)53)35-45-49-47-43(57-45)21-12-25-51(47)2;;;;/h7-12,16-25,28-29,34-35H,13-15,26-27,30-33H2,1-6H3;4*1H/q+4;;;;/p-4
InChIKeyRUYSLLNKJLKJDL-UHFFFAOYSA-J
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
JOJO-1 dye (CHEBI:52098) has part JOJO-1(4+) (CHEBI:52863)
JOJO-1 dye (CHEBI:52098) has role fluorochrome (CHEBI:51217)
JOJO-1 dye (CHEBI:52098) is a organic iodide salt (CHEBI:50356)
IUPAC Name 
2,2'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diylquinolin-1-yl-4-ylidenemethylylidene]}bis(4-methyl[1,3]oxazolo[4,5-b]pyridin-4-ium) tetraiodide