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CHEBI:52946 - Yo-Pro-3(2+)

ChEBI IDCHEBI:52946
ChEBI NameYo-Pro-3(2+)
Stars
DefinitionAn unsymmetrical cationic C3 cyanine dye having 1,3-benzoxazol-2-yl and quinolinium-4-yl substituents.
Last Modified6 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC26H31N3O
Net Charge+2
Average Mass401.554
Monoisotopic Mass401.24562
SMILES[H]C(=Cc1oc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)c2ccccc21
InChIInChI=1S/C26H31N3O/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
InChIKeyJIYYUKBHTPHYQP-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Yo-Pro-3(2+) (CHEBI:52946) has role fluorochrome (CHEBI:51217)
Yo-Pro-3(2+) (CHEBI:52946) is a benzoxazolium ion (CHEBI:52841)
Yo-Pro-3(2+) (CHEBI:52946) is a cyanine dye (CHEBI:37960)
Yo-Pro-3(2+) (CHEBI:52946) is a quaternary ammonium ion (CHEBI:35267)
Yo-Pro-3(2+) (CHEBI:52946) is a quinolinium ion (CHEBI:52837)
Incoming Relation(s)
Yo-Pro-3 (CHEBI:51607) has part Yo-Pro-3(2+) (CHEBI:52946)
IUPAC Names 
3-methyl-2-(3-{1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}prop-1-en-1-yl)-1,3-benzoxazol-3-ium
4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1-[3-(trimethylammonio)propyl]quinolinium
Synonyms  Source
Yo-Pro-3 cationChEBI
Yo-Pro-3 dicationChEBI