CHEBI:52835 - DY-776(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name DY-776(1−)
ChEBI ID CHEBI:52835
ChEBI ASCII Name DY-776(1-)
Definition An anionic C5 cyanine-type compound having indoleinine and dihydropyrano[3,2-g]quinolinium substituents at either end.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C44H47N2O9S2
Net Charge -1
Average Mass 811.98200
Monoisotopic Mass 811.27285
InChI InChI=1S/C44H48N2O9S2/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)/p-1
InChIKey UDUPAVSAWSACQJ-UHFFFAOYSA-M
SMILES [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(1−) (CHEBI:52835) has role fluorochrome (CHEBI:51217)
DY-776(1−) (CHEBI:52835) is a organosulfonate oxoanion (CHEBI:33554)
Incoming DY-776 (CHEBI:51986) has part DY-776(1−) (CHEBI:52835)
IUPAC Name
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
Last Modified
28 июля 2009