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CHEBI:88218 - FluoZin-3

Default Structure
ChEBI IDCHEBI:88218
ChEBI NameFluoZin-3
Stars
DefinitionA member of the class of xanthenes that is used as a Zn2+-selective fluorescent indicator.
Last Modified14 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC34H28F2N2O12
Net Charge0
Average Mass694.596
Monoisotopic Mass694.16103
SMILESCOc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)ccc2NCC(=O)O)c1
InChIInChI=1S/C34H28F2N2O12/c1-47-18-3-5-24(38(15-32(43)44)16-33(45)46)30(9-18)49-7-6-48-29-8-17(2-4-23(29)37-14-31(41)42)34-19-10-21(35)25(39)12-27(19)50-28-13-26(40)22(36)11-20(28)34/h2-5,8-13,37,39H,6-7,14-16H2,1H3,(H,41,42)(H,43,44)(H,45,46)
InChIKeyUUAQRSIXJGAQGA-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
visual indicator  Anything used in a scientific experiment that gives a visual change to indicate the presence of a substance or quality, change in a body, etc.
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
FluoZin-3 (CHEBI:88218) has role chelator (CHEBI:38161)
FluoZin-3 (CHEBI:88218) has role histological dye (CHEBI:77178)
FluoZin-3 (CHEBI:88218) has role visual indicator (CHEBI:50408)
FluoZin-3 (CHEBI:88218) is a aromatic ether (CHEBI:35618)
FluoZin-3 (CHEBI:88218) is a cyclic ketone (CHEBI:3992)
FluoZin-3 (CHEBI:88218) is a organofluorine compound (CHEBI:37143)
FluoZin-3 (CHEBI:88218) is a phenols (CHEBI:33853)
FluoZin-3 (CHEBI:88218) is a substituted aniline (CHEBI:48975)
FluoZin-3 (CHEBI:88218) is a tricarboxylic acid (CHEBI:27093)
FluoZin-3 (CHEBI:88218) is a xanthenes (CHEBI:38835)
IUPAC Name 
N-[2-(2-{2-[bis(carboxymethyl)amino]-5-methoxyphenoxy}ethoxy)-4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]glycine
Citations