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CHEBI:51250 - Alexa Fluor 594 para-isomer

ChEBI IDCHEBI:51250
ChEBI NameAlexa Fluor 594 para-isomer
Stars
ASCII NameAlexa Fluor 594 para-isomer
DefinitionThe 6-succinimidyloxycarbonyl isomer of Alexa Fluor 594.
Last Modified10 August 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC39H37N3O13S2
Net Charge0
Average Mass819.867
Monoisotopic Mass819.17678
SMILESCN1c2cc3c(cc2C(CS(=O)(=O)O)=CC1(C)C)C(c1cc(C(=O)ON2C(=O)CCC2=O)ccc1C(=O)O)=c1cc2c(cc1O3)=[N+](C)C(C)(C)C=C2CS(=O)(=O)[O-]
InChIInChI=1S/C39H37N3O13S2/c1-38(2)16-21(18-56(48,49)50)24-12-27-31(14-29(24)40(38)5)54-32-15-30-25(22(19-57(51,52)53)17-39(3,4)41(30)6)13-28(32)35(27)26-11-20(7-8-23(26)36(45)46)37(47)55-42-33(43)9-10-34(42)44/h7-8,11-17H,9-10,18-19H2,1-6H3,(H2-,45,46,48,49,50,51,52,53)
InChIKeyKJIGIGGGBKHAAA-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
Alexa Fluor 594 para-isomer (CHEBI:51250) is a Alexa Fluor 594 (CHEBI:51248)
IUPAC Name 
[6-(2-carboxy-5-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl]methanesulfonate