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CHEBI:51945 - DY-630

ChEBI IDCHEBI:51945
ChEBI NameDY-630
Stars
Last Modified28 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC36H46N2O6S
Net Charge0
Average Mass634.839
Monoisotopic Mass634.30766
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)CC)ccc12
InChIInChI=1S/C36H46N2O6S/c1-8-37(9-2)26-17-19-28-25(22-33(35(3,4)5)44-31(28)23-26)14-13-15-32-36(6,7)29-24-27(45(41,42)43)18-20-30(29)38(32)21-12-10-11-16-34(39)40/h13-15,17-20,22-24H,8-12,16,21H2,1-7H3,(H-,39,40,41,42,43)
InChIKeyZMSXTBKPLVKZPZ-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-630 (CHEBI:51945) has role fluorochrome (CHEBI:51217)
DY-630 (CHEBI:51945) is a oxonium betaine (CHEBI:51978)
IUPAC Names 
2-{3-[2-tert-butyl-7-(diethylamino)chromenium-4-yl]prop-2-en-1-ylidene}-1-(5-carboxypentyl)-3,3-dimethylindoline-5-sulfonate
2-{3-[2-tert-butyl-7-(diethylamino)-4H-chromen-4-ylidene]prop-1-en-1-yl}-1-(5-carboxypentyl)-3,3-dimethyl-3H-indolium-5-sulfonate