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CHEBI:52830 - DY-701(1−)

ChEBI IDCHEBI:52830
ChEBI NameDY-701(1−)
Stars
ASCII NameDY-701(1-)
DefinitionAn anionic C3 cyanine-type compound having indoleinine and chromenylium substituents at either end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC39H43N2O9S2
Net Charge-1
Average Mass747.912
Monoisotopic Mass747.24155
SMILES[H]C(C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)=C([H])c1[o+]c2cc(N(CC)CC)ccc2c(-c2ccccc2)c1C
InChIInChI=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
InChIKeyMCQHXXGZKXIVIT-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-701(1−) (CHEBI:52830) has role fluorochrome (CHEBI:51217)
DY-701(1−) (CHEBI:52830) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
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