EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52825 - DY-676(1−)

ChEBI IDCHEBI:52825
ChEBI NameDY-676(1−)
Stars
ASCII NameDY-676(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
FormulaC42H45N2O9S2
Net Charge-1
Average Mass785.961
Monoisotopic Mass785.25720
SMILES[H]C(C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)=C([H])c1cc(-c2ccccc2)[o+]c2cc3c(cc12)C(C)=CC(C)(C)N3CC
InChIInChI=1S/C42H46N2O9S2/c1-6-44-36-26-38-33(25-32(36)28(2)27-41(44,3)4)30(23-37(53-38)29-13-8-7-9-14-29)15-10-16-39-42(5,20-11-17-40(45)46)34-24-31(55(50,51)52)18-19-35(34)43(39)21-12-22-54(47,48)49/h7-10,13-16,18-19,23-27H,6,11-12,17,20-22H2,1-5H3,(H2-,45,46,47,48,49,50,51,52)/p-1
InChIKeyMUBMAAKLVCZOOD-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-676(1−) (CHEBI:52825) has role fluorochrome (CHEBI:51217)
DY-676(1−) (CHEBI:52825) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-676 (CHEBI:51966) has part DY-676(1−) (CHEBI:52825)
IUPAC Name 
3-(3-carboxypropyl)-2-[3-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)prop-2-en-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate