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CHEBI:51983 - DY-750

ChEBI IDCHEBI:51983
ChEBI NameDY-750
Stars
Last Modified28 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC42H52N2O6S
Net Charge0
Average Mass712.953
Monoisotopic Mass712.35461
SMILES[H]C(=C([H])C([H])=C1N(CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C)C([H])=C([H])c1cc(C(C)(C)C)[o+]c2cc3c(cc12)C(C)=CC(C)(C)N3CC
InChIInChI=1S/C42H52N2O6S/c1-10-44-35-26-36-32(25-31(35)28(2)27-41(44,6)7)29(23-38(50-36)40(3,4)5)17-13-11-14-18-37-42(8,9)33-24-30(51(47,48)49)20-21-34(33)43(37)22-16-12-15-19-39(45)46/h11,13-14,17-18,20-21,23-27H,10,12,15-16,19,22H2,1-9H3,(H-,45,46,47,48,49)
InChIKeyGSUNDTMFNNPYFK-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-750 (CHEBI:51983) has role fluorochrome (CHEBI:51217)
DY-750 (CHEBI:51983) is a oxonium betaine (CHEBI:51978)
IUPAC Name 
2-[5-(2-tert-butyl-9-ethyl-6,8,8-trimethyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-1-(5-carboxypentyl)-3,3-dimethylindoline-5-sulfonate