EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52663 - Alexa Fluor 488 meta-isomer

ChEBI IDCHEBI:52663
ChEBI NameAlexa Fluor 488 meta-isomer
Stars
ASCII NameAlexa Fluor 488 meta-isomer
DefinitionThe 5-isomer of Alexa-Fluor 488.
Last Modified10 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC21H12N2O11S2.2Li
Net Charge0
Average Mass546.346
Monoisotopic Mass546.02026
SMILESNc1ccc2c(-c3ccc(C(=O)O)cc3C(=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(9-2-1-8(20(24)25)7-12(9)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
InChIKeyDLDZEZAAVSPZBP-UHFFFAOYSA-L
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
Alexa Fluor 488 meta-isomer (CHEBI:52663) has part Alexa Fluor 488 meta-isomer(2−) (CHEBI:52954)
Alexa Fluor 488 meta-isomer (CHEBI:52663) is a Alexa Fluor 488 (CHEBI:52661)
IUPAC Name 
dilithium 5-carboxy-2-(3,6-diamino-4,5-disulfonatoxanthenium-9-yl)benzoate