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CHEBI:51981 - DY-732

ChEBI IDCHEBI:51981
ChEBI NameDY-732
Stars
DefinitionAn organic disodium salt having 2-(5-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion.
Last Modified23 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC39H48N2O12S3.2Na
Net Charge0
Average Mass878.996
Monoisotopic Mass878.21648
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+]c2cc(N(CC)CCCS(=O)(=O)[O-])ccc12.[Na+].[Na+]
InChIInChI=1S/C39H50N2O12S3.2Na/c1-6-40(21-11-23-54(44,45)46)29-16-18-31-28(25-36(38(2,3)4)53-34(31)26-29)13-8-7-9-14-35-39(5,20-10-15-37(42)43)32-27-30(56(50,51)52)17-19-33(32)41(35)22-12-24-55(47,48)49;;/h7-9,13-14,16-19,25-27H,6,10-12,15,20-24H2,1-5H3,(H3-,42,43,44,45,46,47,48,49,50,51,52);;/q;2*+1/p-2
InChIKeyFFDQNEOZIUXQBT-UHFFFAOYSA-L
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-732 (CHEBI:51981) has part DY-732(2−) (CHEBI:63246)
DY-732 (CHEBI:51981) has role fluorochrome (CHEBI:51217)
DY-732 (CHEBI:51981) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 2-(5-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate