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CHEBI:52860 - fura-2(5−)

ChEBI IDCHEBI:52860
ChEBI Namefura-2(5−)
Stars
ASCII Namefura-2(5-)
DefinitionThe anionic form of fura-2 dye.
Last Modified29 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC28H22N3O14
Net Charge-5
Average Mass624.491
Monoisotopic Mass624.11292
SMILESO=C([O-])CN(CC(=O)[O-])c1ccccc1OCCOc1cc2cc(C3=NCC(C(=O)[O-])O3)oc2cc1N(CC(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C28H27N3O14/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)/p-5
InChIKeyQVJCYCPBVCOZGZ-UHFFFAOYSA-I
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
fura-2(5−) (CHEBI:52860) has role fluorochrome (CHEBI:51217)
fura-2(5−) (CHEBI:52860) is a 1,3-oxazoles (CHEBI:46812)
fura-2(5−) (CHEBI:52860) is a pentacarboxylic acid anion (CHEBI:35755)
Incoming Relation(s)
fura-2 dye (CHEBI:52081) has part fura-2(5−) (CHEBI:52860)
IUPAC Name 
2-{6-[bis(carboxylatomethyl)amino]-5-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)-1-benzofuran-2-yl}-4,5-dihydro-1,3-oxazole-5-carboxylate