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CHEBI:51607 - Yo-Pro-3

ChEBI IDCHEBI:51607
ChEBI NameYo-Pro-3
Stars
DefinitionAn unsymmetrical C3 cyanine dye having 1,3-benzoxazol-2-yl and quinolinium-4-yl substituents.
Last Modified6 August 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC26H31N3O.2I
Net Charge0
Average Mass655.362
Monoisotopic Mass655.05566
SMILES[H]C(=Cc1oc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)c2ccccc21.[I-].[I-]
InChIInChI=1S/C26H31N3O.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
InChIKeyZVUUXEGAYWQURQ-UHFFFAOYSA-L
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Yo-Pro-3 (CHEBI:51607) has part Yo-Pro-3(2+) (CHEBI:52946)
Yo-Pro-3 (CHEBI:51607) has role fluorochrome (CHEBI:51217)
Yo-Pro-3 (CHEBI:51607) is a 1,3-benzoxazoles (CHEBI:51548)
Yo-Pro-3 (CHEBI:51607) is a ammonium salt (CHEBI:47704)
Yo-Pro-3 (CHEBI:51607) is a cyanine dye (CHEBI:37960)
Yo-Pro-3 (CHEBI:51607) is a organic iodide salt (CHEBI:50356)
Yo-Pro-3 (CHEBI:51607) is a quinolines (CHEBI:26513)
IUPAC Names 
3-methyl-2-(3-{1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}prop-1-en-1-yl)-1,3-benzoxazol-3-ium diiodide
4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide
Synonym  Source
YO-PRO-3 iodideChEBI