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CHEBI:52834 - DY-751(1−)

ChEBI IDCHEBI:52834
ChEBI NameDY-751(1−)
Stars
ASCII NameDY-751(1-)
DefinitionAn anionic C5 cyanine-type compound having indoleinine and dihydropyrano[3,2-g]quinolinium substituents at either end.
Last Modified28 November 2011
SubmitterSteve
DownloadsMolfile
FormulaC42H51N2O9S2
Net Charge-1
Average Mass792.009
Monoisotopic Mass791.30415
SMILES[H]C(=C([H])C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)C([H])=C([H])c1cc(C(C)(C)C)[o+]c2cc3c(cc12)C(C)=CC(C)(C)N3CC
InChIInChI=1S/C42H52N2O9S2/c1-9-44-35-26-36-32(25-31(35)28(2)27-41(44,6)7)29(23-38(53-36)40(3,4)5)15-11-10-12-16-37-42(8,20-13-17-39(45)46)33-24-30(55(50,51)52)18-19-34(33)43(37)21-14-22-54(47,48)49/h10-12,15-16,18-19,23-27H,9,13-14,17,20-22H2,1-8H3,(H2-,45,46,47,48,49,50,51,52)/p-1
InChIKeySFSBZTYYAVSYOD-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-751(1−) (CHEBI:52834) has role fluorochrome (CHEBI:51217)
DY-751(1−) (CHEBI:52834) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-751 (CHEBI:51984) has part DY-751(1−) (CHEBI:52834)
IUPAC Name 
2-[5-(2-tert-butyl-9-ethyl-6,8,8-trimethyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate