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CHEBI:52928 - To-Pro-3(2+)

ChEBI IDCHEBI:52928
ChEBI NameTo-Pro-3(2+)
Stars
DefinitionA cationic C3 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents.
Last Modified6 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC26H31N3S
Net Charge+2
Average Mass417.622
Monoisotopic Mass417.22277
SMILES[H]C(=Cc1sc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)c2ccccc21
InChIInChI=1S/C26H31N3S/c1-27-24-14-7-8-15-25(24)30-26(27)16-9-11-21-17-19-28(18-10-20-29(2,3)4)23-13-6-5-12-22(21)23/h5-9,11-17,19H,10,18,20H2,1-4H3/q+2
InChIKeyBBSUOMZZTCYACA-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
To-Pro-3(2+) (CHEBI:52928) has role fluorochrome (CHEBI:51217)
To-Pro-3(2+) (CHEBI:52928) is a benzothiazolium ion (CHEBI:52838)
To-Pro-3(2+) (CHEBI:52928) is a cyanine dye (CHEBI:37960)
To-Pro-3(2+) (CHEBI:52928) is a quinolinium ion (CHEBI:52837)
Incoming Relation(s)
To-Pro-3 (CHEBI:52297) has part To-Pro-3(2+) (CHEBI:52928)
IUPAC Names 
3-methyl-2-(3-{1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}prop-1-en-1-yl)-1,3-benzothiazol-3-ium
4-[3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]quinolinium
Synonyms  Source
To-Pro-3 cationChEBI
To-Pro-3 dicationChEBI