CHEBI:52830 - DY-701(1−)

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ChEBI Name DY-701(1−)
ChEBI ID CHEBI:52830
ChEBI ASCII Name DY-701(1-)
Definition An anionic C3 cyanine-type compound having indoleinine and chromenylium substituents at either end.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C39H43N2O9S2
Net Charge -1
Average Mass 747.89700
Monoisotopic Mass 747.24155
InChI InChI=1S/C39H44N2O9S2/c1-5-40(6-2)29-18-20-31-35(25-29)50-34(27(3)38(31)28-13-8-7-9-14-28)15-10-16-36-39(4,22-11-17-37(42)43)32-26-30(52(47,48)49)19-21-33(32)41(36)23-12-24-51(44,45)46/h7-10,13-16,18-21,25-26H,5-6,11-12,17,22-24H2,1-4H3,(H2-,42,43,44,45,46,47,48,49)/p-1
InChIKey MCQHXXGZKXIVIT-UHFFFAOYSA-M
SMILES [H]C(=C([H])c1[o+]c2cc(ccc2c(-c2ccccc2)c1C)N(CC)CC)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing DY-701(1−) (CHEBI:52830) has role fluorochrome (CHEBI:51217)
DY-701(1−) (CHEBI:52830) is a organosulfonate oxoanion (CHEBI:33554)
Incoming DY-701 (CHEBI:51977) has part DY-701(1−) (CHEBI:52830)
IUPAC Names
3-(3-carboxypropyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenyl-2H-chromen-2-ylidene]prop-1-en-1-yl}-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate
3-(3-carboxypropyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenylchromenium-2-yl]prop-2-en-1-ylidene}-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
Last Modified
28 July 2009