CHEBI:51249 - Alexa Fluor 594 meta-isomer

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ChEBI Name Alexa Fluor 594 meta-isomer
ChEBI ID CHEBI:51249
ChEBI ASCII Name Alexa Fluor 594 meta-isomer
Definition The 5-succinimidyloxycarbonyl isomer of Alexa Fluor 594.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C39H37N3O13S2
Net Charge 0
Average Mass 819.85550
Monoisotopic Mass 819.17678
InChI InChI=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)23-8-7-20(11-26(23)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)
InChIKey KWHCBZDWVYWWLE-UHFFFAOYSA-N
SMILES CN1c2cc3Oc4cc5=[N+](C)C(C)(C)C=C(CS([O-])(=O)=O)c5cc4=C(c3cc2C(CS(O)(=O)=O)=CC1(C)C)c1ccc(cc1C(O)=O)C(=O)ON1C(=O)CCC1=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
(via Alexa Fluor 594 )
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ChEBI Ontology
Outgoing Alexa Fluor 594 meta-isomer (CHEBI:51249) is a Alexa Fluor 594 (CHEBI:51248)
IUPAC Name
[6-(2-carboxy-4-{[(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
Last Modified
10 August 2009
General Comment
2009-07-08 The numbering of the 5-succinimidyloxycarbonyl substituent on the phenyl ring is based upon the numbering of the ring-closed lactone tautomer of the fluoroscein skeleton.