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CHEBI:52822 - DY-633(1−)

ChEBI IDCHEBI:52822
ChEBI NameDY-633(1−)
Stars
ASCII NameDY-633(1-)
DefinitionAn anionic C3 cyanine-type compound having indoleinine and chromenylium substituents at either end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC37H47N2O9S2
Net Charge-1
Average Mass727.922
Monoisotopic Mass727.27285
SMILES[H]C(C([H])=C1N(CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C)=C([H])c1cc(C(C)(C)C)[o+]c2cc(N(CC)CCCS(=O)(=O)[O-])ccc12
InChIInChI=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
InChIKeyZDIIPKBJLVGAQB-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-633(1−) (CHEBI:52822) has role fluorochrome (CHEBI:51217)
DY-633(1−) (CHEBI:52822) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
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