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CHEBI:52297 - To-Pro-3

ChEBI IDCHEBI:52297
ChEBI NameTo-Pro-3
Stars
DefinitionAn unsymmetrical C3 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents.
Last Modified6 August 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC26H31N3S.2I
Net Charge0
Average Mass671.430
Monoisotopic Mass671.03281
SMILES[H]C(=Cc1sc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)c2ccccc21.[I-].[I-]
InChIInChI=1S/C26H31N3S.2HI/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;2*1H/q+2;;/p-2
InChIKeyQHNORJFCVHUPNH-UHFFFAOYSA-L
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
To-Pro-3 (CHEBI:52297) has part To-Pro-3(2+) (CHEBI:52928)
To-Pro-3 (CHEBI:52297) has role fluorochrome (CHEBI:51217)
To-Pro-3 (CHEBI:52297) is a cyanine dye (CHEBI:37960)
To-Pro-3 (CHEBI:52297) is a organic iodide salt (CHEBI:50356)
IUPAC Names 
3-methyl-2-(3-{1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}prop-1-en-1-yl)-1,3-benzothiazol-3-ium diiodide
4-[3-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide