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CHEBI:52802 - BoBo-1(4+)

ChEBI IDCHEBI:52802
ChEBI NameBoBo-1(4+)
Stars
DefinitionThe cationic form of BoBo-1, a symmetrical cyanine dye.
Last Modified31 March 2010
SubmitterSteve
DownloadsMolfile
FormulaC41H54N6S2
Net Charge+4
Average Mass695.059
Monoisotopic Mass694.38294
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(=C([H])c3sc4ccccc4[n+]3C)C=C2)C=C1)c1sc2ccccc2[n+]1C
InChIInChI=1S/C41H54N6S2/c1-42-36-14-7-9-16-38(36)48-40(42)32-34-18-24-44(25-19-34)22-11-28-46(3,4)30-13-31-47(5,6)29-12-23-45-26-20-35(21-27-45)33-41-43(2)37-15-8-10-17-39(37)49-41/h7-10,14-21,24-27,32-33H,11-13,22-23,28-31H2,1-6H3/q+4
InChIKeyOUIWRUVXYIBBQY-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
BoBo-1(4+) (CHEBI:52802) has role fluorochrome (CHEBI:51217)
BoBo-1(4+) (CHEBI:52802) is a cyanine dye (CHEBI:37960)
BoBo-1(4+) (CHEBI:52802) is a organic cation (CHEBI:25697)
Incoming Relation(s)
BoBo-1 (CHEBI:51878) has part BoBo-1(4+) (CHEBI:52802)
IUPAC Name 
2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzothiazol-3-ium)