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CHEBI:51955 - DY-650

ChEBI IDCHEBI:51955
ChEBI NameDY-650
Stars
Last Modified28 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC40H50N2O6S
Net Charge0
Average Mass686.915
Monoisotopic Mass686.33896
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+]c2cc3c(cc12)C(C)=CC(C)(C)N3CC
InChIInChI=1S/C40H50N2O6S/c1-10-42-33-24-34-30(23-29(33)26(2)25-39(42,6)7)27(21-36(48-34)38(3,4)5)15-14-16-35-40(8,9)31-22-28(49(45,46)47)18-19-32(31)41(35)20-13-11-12-17-37(43)44/h14-16,18-19,21-25H,10-13,17,20H2,1-9H3,(H-,43,44,45,46,47)
InChIKeyONFSXJMYWBTTBC-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-650 (CHEBI:51955) has role fluorochrome (CHEBI:51217)
DY-650 (CHEBI:51955) is a oxonium betaine (CHEBI:51978)
IUPAC Name 
2-[3-(2-tert-butyl-9-ethyl-6,8,8-trimethyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)prop-2-en-1-ylidene]-1-(5-carboxypentyl)-3,3-dimethylindoline-5-sulfonate