CHEBI:51986 - DY-776

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ChEBI Name DY-776 ChEBI ID CHEBI:51986 Definition An organic monosodium salt that has 3-(3-carboxypropyl)-2-[5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C44H47N2NaO9S2 Net Charge 0 Average Mass 834.97200 Monoisotopic Mass 834.26207 InChI InChI=1S/C44H48N2O9S2.Na/c1-6-46-38-28-40-35(27-34(38)30(2)29-43(46,3)4)32(25-39(55-40)31-15-9-7-10-16-31)17-11-8-12-18-41-44(5,22-13-19-42(47)48)36-26-33(57(52,53)54)20-21-37(36)45(41)23-14-24-56(49,50)51;/h7-12,15-18,20-21,25-29H,6,13-14,19,22-24H2,1-5H3,(H2-,47,48,49,50,51,52,53,54);/q;+1/p-1 InChIKey NBRJKWNYFLEEOQ-UHFFFAOYSA-M SMILES [Na+].[H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc([o+]c2cc3N(CC)C(C)(C)C=C(C)c3cc12)-c1ccccc1 Roles Classification Application(s): fluorochrome A fluorescent dye used to stain biological specimens. View more via ChEBI Ontology ChEBI Ontology Outgoing DY-776 (CHEBI:51986) has part DY-776(1−) (CHEBI:52835) DY-776 (CHEBI:51986) has role fluorochrome (CHEBI:51217) DY-776 (CHEBI:51986) is a organic sodium salt (CHEBI:38700) IUPAC Name sodium 3-(3-carboxypropyl)-2-[5-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate Registry Number Type Source 19570575 Reaxys Registry Number Reaxys Last Modified 30 November 2011