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CHEBI:52824 - DY-651(1−)

ChEBI IDCHEBI:52824
ChEBI NameDY-651(1−)
Stars
ASCII NameDY-651(1-)
DefinitionAn anionic C3 cyanine-type compound having indoleinine and dihydropyrano[3,2-g]quinoline groups at either end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC40H49N2O9S2
Net Charge-1
Average Mass765.971
Monoisotopic Mass765.28850
SMILES[H]C(C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)=C([H])c1cc(C(C)(C)C)[o+]c2cc3c(cc12)C(C)=CC(C)(C)N3CC
InChIInChI=1S/C40H50N2O9S2/c1-9-42-33-24-34-30(23-29(33)26(2)25-39(42,6)7)27(21-36(51-34)38(3,4)5)13-10-14-35-40(8,18-11-15-37(43)44)31-22-28(53(48,49)50)16-17-32(31)41(35)19-12-20-52(45,46)47/h10,13-14,16-17,21-25H,9,11-12,15,18-20H2,1-8H3,(H2-,43,44,45,46,47,48,49,50)/p-1
InChIKeyYIJLEYBNUJYTPK-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-651(1−) (CHEBI:52824) has role fluorochrome (CHEBI:51217)
DY-651(1−) (CHEBI:52824) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-651 (CHEBI:51956) has part DY-651(1−) (CHEBI:52824)
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]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate