CHEBI:52833 - DY-731(1−)

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ChEBI Name DY-731(1−)
ChEBI ID CHEBI:52833
ChEBI ASCII Name DY-731(1-)
Definition An anionic C5 cyanine-type compound having indoleinine and chromenylium substituents at either end.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H47N2O9S2
Net Charge -1
Average Mass 739.91800
Monoisotopic Mass 739.27285
InChI InChI=1S/C38H48N2O9S2/c1-7-39(8-2)28-17-19-30-27(24-35(37(3,4)5)49-33(30)25-28)14-10-9-11-15-34-38(6,21-12-16-36(41)42)31-26-29(51(46,47)48)18-20-32(31)40(34)22-13-23-50(43,44)45/h9-11,14-15,17-20,24-26H,7-8,12-13,16,21-23H2,1-6H3,(H2-,41,42,43,44,45,46,47,48)/p-1
InChIKey AHBJDLINWYCBBT-UHFFFAOYSA-M
SMILES [H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc([o+]c2cc(ccc12)N(CC)CC)C(C)(C)C
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing DY-731(1−) (CHEBI:52833) has role fluorochrome (CHEBI:51217)
DY-731(1−) (CHEBI:52833) is a organosulfonate oxoanion (CHEBI:33554)
Incoming DY-731 (CHEBI:51980) has part DY-731(1−) (CHEBI:52833)
IUPAC Names
2-{5-[2-tert-butyl-7-(diethylamino)-4H-chromen-4-ylidene]penta-1,3-dien-1-yl}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate
2-{5-[2-tert-butyl-7-(diethylamino)chromenium-4-yl]penta-2,4-dien-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
Last Modified
28 July 2009