CHEBI:52802 - BoBo-1(4+)

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ChEBI Name BoBo-1(4+)
ChEBI ID CHEBI:52802
Definition The cationic form of BoBo-1, a symmetrical cyanine dye.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H54N6S2
Net Charge +4
Average Mass 695.03800
Monoisotopic Mass 694.38294
InChI InChI=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
InChIKey OUIWRUVXYIBBQY-UHFFFAOYSA-N
SMILES [H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(C=C2)=C([H])c2sc3ccccc3[n+]2C)C=C1)c1sc2ccccc2[n+]1C
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
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ChEBI Ontology
Outgoing 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 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)
Last Modified
31 March 2010