CHEBI:52822 - DY-633(1−)

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ChEBI Name DY-633(1−)
ChEBI ID CHEBI:52822
ChEBI ASCII Name DY-633(1-)
Definition An anionic C3 cyanine-type compound having indoleinine and chromenylium substituents at either end.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C37H47N2O9S2
Net Charge -1
Average Mass 727.90700
Monoisotopic Mass 727.27285
InChI InChI=1S/C37H48N2O9S2/c1-7-38(20-12-22-49(42,43)44)27-16-18-29-26(23-34(36(2,3)4)48-32(29)24-27)13-11-14-33-37(5,6)30-25-28(50(45,46)47)17-19-31(30)39(33)21-10-8-9-15-35(40)41/h11,13-14,16-19,23-25H,7-10,12,15,20-22H2,1-6H3,(H2-,40,41,42,43,44,45,46,47)/p-1
InChIKey ZDIIPKBJLVGAQB-UHFFFAOYSA-M
SMILES [H]C(=C([H])c1cc([o+]c2cc(ccc12)N(CC)CCCS([O-])(=O)=O)C(C)(C)C)C([H])=C1N(CCCCCC(O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing DY-633(1−) (CHEBI:52822) has role fluorochrome (CHEBI:51217)
DY-633(1−) (CHEBI:52822) is a organosulfonate oxoanion (CHEBI:33554)
Incoming DY-633 (CHEBI:51948) has part DY-633(1−) (CHEBI:52822)
IUPAC Names
2-(3-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}prop-2-en-1-ylidene)-1-(5-carboxypentyl)-3,3-dimethylindoline-5-sulfonate
2-[3-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]-4H-chromen-4-ylidene}prop-1-en-1-yl]-1-(5-carboxypentyl)-3,3-dimethyl-3H-indolium-5-sulfonate
Last Modified
28 July 2009