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CHEBI:52953 - Alexa Fluor 488 para-isomer(2−)

ChEBI IDCHEBI:52953
ChEBI NameAlexa Fluor 488 para-isomer(2−)
Stars
ASCII NameAlexa Fluor 488 para-isomer(2-)
DefinitionThe dianion of Alexa Fluor 488 para-isomer.
Last Modified10 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC21H12N2O11S2
Net Charge-2
Average Mass532.464
Monoisotopic Mass531.98935
SMILESNc1ccc2c(-c3cc(C(=O)O)ccc3C(=O)[O-])c3ccc(N)c(S(=O)(=O)[O-])c3[o+]c2c1S(=O)(=O)[O-]
InChIInChI=1S/C21H14N2O11S2/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)/p-2
InChIKeyOWJHMOVSIFSCKQ-UHFFFAOYSA-L
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Alexa Fluor 488 para-isomer(2−) (CHEBI:52953) has role fluorochrome (CHEBI:51217)
Alexa Fluor 488 para-isomer(2−) (CHEBI:52953) is a organosulfonate oxoanion (CHEBI:33554)
Alexa Fluor 488 para-isomer(2−) (CHEBI:52953) is a xanthene dye (CHEBI:37929)
Incoming Relation(s)
Alexa Fluor 488 para-isomer (CHEBI:52662) has part Alexa Fluor 488 para-isomer(2−) (CHEBI:52953)
IUPAC Name 
4-carboxy-2-(3,6-diamino-4,5-disulfonatoxanthenium-9-yl)benzoate