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CHEBI:52823 - DY-636(1−)

ChEBI IDCHEBI:52823
ChEBI NameDY-636(1−)
Stars
ASCII NameDY-636(1-)
DefinitionAn anionic C3 cyanine-type compound having indoleinine and tetrahydropyrano[2,3-f]pyrido[3,2,1-ij]quinoline substituents at either end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC38H45N2O9S2
Net Charge-1
Average Mass737.917
Monoisotopic Mass737.25720
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+]c2c3c4c(cc12)CCCN4CCC3
InChIInChI=1S/C38H46N2O9S2/c1-37(2,3)33-23-25(29-22-26-11-7-18-39-19-8-12-28(35(26)39)36(29)49-33)10-5-13-32-38(4,17-6-14-34(41)42)30-24-27(51(46,47)48)15-16-31(30)40(32)20-9-21-50(43,44)45/h5,10,13,15-16,22-24H,6-9,11-12,14,17-21H2,1-4H3,(H2-,41,42,43,44,45,46,47,48)/p-1
InChIKeyUEZIPWNLFSPNKN-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-636(1−) (CHEBI:52823) has role fluorochrome (CHEBI:51217)
DY-636(1−) (CHEBI:52823) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-636 (CHEBI:51952) has part DY-636(1−) (CHEBI:52823)
IUPAC Name 
2-[3-(11-tert-butyl-2,3,6,7-tetrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12-ium-9-yl)prop-2-en-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate