CHEBI:52887 - PoPo-1(4+)

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ChEBI Name PoPo-1(4+)
ChEBI ID CHEBI:52887
Definition The tetracation of PoPo-1 dye.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000002568320
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Formula C41H54N6O2
Net Charge +4
Average Mass 662.90650
Monoisotopic Mass 662.42863
InChI InChI=1S/C41H54N6O2/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 BLFSBGOOTKQELE-UHFFFAOYSA-N
SMILES [H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(C=C2)=C([H])c2oc3ccccc3[n+]2C)C=C1)c1oc2ccccc2[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 PoPo-1(4+) (CHEBI:52887) has role fluorochrome (CHEBI:51217)
PoPo-1(4+) (CHEBI:52887) is a benzoxazolium ion (CHEBI:52841)
PoPo-1(4+) (CHEBI:52887) is a cyanine dye (CHEBI:37960)
PoPo-1(4+) (CHEBI:52887) is a pyridinium ion (CHEBI:50334)
PoPo-1(4+) (CHEBI:52887) is a quaternary ammonium ion (CHEBI:35267)
Incoming PoPo-1 (CHEBI:52219) has part PoPo-1(4+) (CHEBI:52887)
IUPAC Names
1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]pyridinium}
2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzoxazol-3-ium)
Synonym Source
PoPo-1 cation ChEBI
Last Modified
08 July 2010