CHEBI:51760 - Alexa Fluor 546

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ChEBI Name Alexa Fluor 546
ChEBI ID CHEBI:51760
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H46Cl3N4NaO14S3
Net Charge 0
Average Mass 1080.39800
Monoisotopic Mass 1078.11359
InChI InChI=1S/C44H47Cl3N4O14S3.Na/c1-19-16-43(3,4)49-35-21(19)14-23-29(24-15-22-20(2)17-44(5,6)50-36(22)41(68(61,62)63)38(24)64-37(23)40(35)67(58,59)60)30-31(42(56)57)32(45)34(47)39(33(30)46)66-18-25(52)48-13-9-7-8-10-28(55)65-51-26(53)11-12-27(51)54;/h14-15,19-20,49H,7-13,16-18H2,1-6H3,(H,48,52)(H,56,57)(H,58,59,60)(H,61,62,63);/q;+1/p-1
InChIKey ZAINTDRBUHCDPZ-UHFFFAOYSA-M
SMILES [H+].[Na+].CC1CC(C)(C)Nc2c1cc1c(Oc3c(c4=NC(C)(C)CC(C)c4cc3=C1c1c(Cl)c(SCC(=O)NCCCCCC(=O)ON3C(=O)CCC3=O)c(Cl)c(Cl)c1C(O)=O)S([O-])(=O)=O)c2S([O-])(=O)=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Alexa Fluor 546 (CHEBI:51760) has role fluorochrome (CHEBI:51217)
Alexa Fluor 546 (CHEBI:51760) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
sodium 6-(2-carboxy-3,4,6-trichloro-5-{[2-({6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}amino)-2-oxoethyl]thio}phenyl)-2,2,4,8,10,10-hexamethyl-3,4,5a,8,9,10,11,12a-octahydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-12,14-disulfonate
Synonym Source
Alexa Fluor 546 carboxylic acid, succinimidyl ester ChEBI
Last Modified
12 March 2012