CHEBI:51222 - YoYo-3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name YoYo-3
ChEBI ID CHEBI:51222
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C53H58I4N6O2
Net Charge 0
Average Mass 1318.68474
Monoisotopic Mass 1318.08001
InChI InChI=1S/C53H58N6O2.4HI/c1-54(2)42(34-38-58-36-32-40(44-22-7-9-24-46(44)58)18-15-30-52-56(5)48-26-11-13-28-50(48)60-52)20-17-21-43(55(3)4)35-39-59-37-33-41(45-23-8-10-25-47(45)59)19-16-31-53-57(6)49-27-12-14-29-51(49)61-53;;;;/h7-16,18-19,22-33,36-37H,17,20-21,34-35,38-39H2,1-6H3;4*1H/q+4;;;;/p-4
InChIKey JSBNEYNPYQFYNM-UHFFFAOYSA-J
SMILES [I-].[I-].[I-].[I-].[H]C(=CC([H])=C1Oc2ccccc2N1C)c1cc[n+](CCC(CCCC(CC[n+]2ccc(C([H])=CC([H])=C3Oc4ccccc4N3C)c3ccccc23)=[N+](C)C)=[N+](C)C)c2ccccc12
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing YoYo-3 (CHEBI:51222) has part YoYo-3(4+) (CHEBI:52948)
YoYo-3 (CHEBI:51222) has role fluorochrome (CHEBI:51217)
YoYo-3 (CHEBI:51222) is a cyanine dye (CHEBI:37960)
YoYo-3 (CHEBI:51222) is a organic iodide salt (CHEBI:50356)
IUPAC Names
1,1'-[3,7-bis(dimethyliminio)nonane-1,9-diyl]bis{4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium} tetraiodide
2,2'-{[3,7-bis(dimethyliminio)nonane-1,9-diyl]bis[quinolin-1-yl-4-ylideneprop-1-en-1-yl-3-ylidene]}bis(3-methyl-1,3-benzoxazol-3-ium) tetraiodide
Registry Number Type Source
156312-20-8 CAS Registry Number ChemIDplus
Last Modified
06 August 2009