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CHEBI:51944 - DY-615

ChEBI IDCHEBI:51944
ChEBI NameDY-615
Stars
Last Modified28 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC32H38N2O6S
Net Charge0
Average Mass578.731
Monoisotopic Mass578.24506
SMILES[H]C(C([H])=C1N(CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C)=C([H])c1cc(C(C)(C)C)[o+]c2cc(N)ccc12
InChIInChI=1S/C32H38N2O6S/c1-31(2,3)29-18-21(24-15-13-22(33)19-27(24)40-29)10-9-11-28-32(4,5)25-20-23(41(37,38)39)14-16-26(25)34(28)17-8-6-7-12-30(35)36/h9-11,13-16,18-20H,6-8,12,17,33H2,1-5H3,(H-,35,36,37,38,39)
InChIKeyYEDORPQPNSDCLJ-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-615 (CHEBI:51944) has role fluorochrome (CHEBI:51217)
DY-615 (CHEBI:51944) is a oxonium betaine (CHEBI:51978)
IUPAC Names 
2-[3-(7-amino-2-tert-butylchromenium-4-yl)prop-2-en-1-ylidene]-1-(5-carboxypentyl)-3,3-dimethylindoline-5-sulfonate
2-[3-(7-amino-2-tert-butyl-4H-chromen-4-ylidene)prop-1-en-1-yl]-1-(5-carboxypentyl)-3,3-dimethyl-3H-indolium-5-sulfonate