EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:52081 - fura-2 dye

ChEBI IDCHEBI:52081
ChEBI Namefura-2 dye
Stars
Last Modified29 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC28H22N3O14.5K
Net Charge0
Average Mass819.981
Monoisotopic Mass818.92871
SMILESO=C([O-])CN(CC(=O)[O-])c1ccccc1OCCOc1cc2cc(C3=NCC(C(=O)[O-])O3)oc2cc1N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C28H27N3O14.5K/c32-23(33)11-30(12-24(34)35)16-3-1-2-4-18(16)42-5-6-43-20-7-15-8-21(27-29-10-22(45-27)28(40)41)44-19(15)9-17(20)31(13-25(36)37)14-26(38)39;;;;;/h1-4,7-9,22H,5-6,10-14H2,(H,32,33)(H,34,35)(H,36,37)(H,38,39)(H,40,41);;;;;/q;5*+1/p-5
InChIKeyZIBFFCSCYSYOAN-UHFFFAOYSA-I
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
fura-2 dye (CHEBI:52081) has part fura-2(5−) (CHEBI:52860)
fura-2 dye (CHEBI:52081) has role fluorochrome (CHEBI:51217)
fura-2 dye (CHEBI:52081) is a 1,3-oxazoles (CHEBI:46812)
fura-2 dye (CHEBI:52081) is a organic potassium salt (CHEBI:50394)
IUPAC Name 
pentapotassium 2-(6-[bis(carboxylatomethyl)amino]-5-{[2-({2-[bis(carboxylatomethyl)amino]phenyl}oxy)ethyl]oxy}-1-benzofuran-2-yl)-4,5-dihydro-1,3-oxazole-5-carboxylate
Synonyms  Source
fura-2, pentapotassium saltChEBI
5-Oxazolecarboxylic acid, 2-(6-(bis(carboxymethyl)amino)-5-(2-(2-(bis(carboxymethyl)amino)-5-methylphenoxy)ethoxy)-2-benzofuranyl)-, pentapotassium saltChEBI