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CHEBI:52662 - Alexa Fluor 488 para-isomer

ChEBI IDCHEBI:52662
ChEBI NameAlexa Fluor 488 para-isomer
Stars
ASCII NameAlexa Fluor 488 para-isomer
DefinitionThe 6-isomer of Alexa Fluor 488.
Last Modified10 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC21H12N2O11S2.2Li
Net Charge0
Average Mass546.346
Monoisotopic Mass546.02026
SMILESNc1ccc2c(-c3cc(C(=O)O)ccc3C(=O)[O-])c3ccc(N)c(S(=O)(=O)[O-])c3[o+]c2c1S(=O)(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C21H14N2O11S2.2Li/c22-13-5-3-10-15(12-7-8(20(24)25)1-2-9(12)21(26)27)11-4-6-14(23)19(36(31,32)33)17(11)34-16(10)18(13)35(28,29)30;;/h1-7H,22-23H2,(H3-,24,25,26,27,28,29,30,31,32,33);;/q;2*+1/p-2
InChIKeyAYQZGOKWZWMNPJ-UHFFFAOYSA-L
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
Alexa Fluor 488 para-isomer (CHEBI:52662) has part Alexa Fluor 488 para-isomer(2−) (CHEBI:52953)
Alexa Fluor 488 para-isomer (CHEBI:52662) has role fluorochrome (CHEBI:51217)
Alexa Fluor 488 para-isomer (CHEBI:52662) is a Alexa Fluor 488 (CHEBI:52661)
IUPAC Name 
dilithium 4-carboxy-2-(3,6-diamino-4,5-disulfonatoxanthenium-9-yl)benzoate