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CHEBI:5107 - Fluo-3

ChEBI IDCHEBI:5107
ChEBI NameFluo-3
Stars
Last Modified28 June 2010
DownloadsMolfile
FormulaC36H30Cl2N2O13
Net Charge0
Average Mass769.543
Monoisotopic Mass768.11249
SMILESCc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(-c3c4cc(Cl)c(=O)cc-4oc4cc(O)c(Cl)cc34)ccc2N(CC(=O)O)CC(=O)O)c1
InChIInChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
InChIKeyOZLGRUXZXMRXGP-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Fluo-3 (CHEBI:5107) has role fluorochrome (CHEBI:51217)
Fluo-3 (CHEBI:5107) is a xanthene dye (CHEBI:37929)
IUPAC Name 
{[2-(2-{2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy}ethoxy)-4-methylphenyl](carboxymethyl)amino}acetic acid
Synonyms  Source
Fluo-3KEGG COMPOUND
N-(2-(2-(2-(bis(carboxymethyl)amino)-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthene-9-yl)phenoxy)ethoxy)-4-methylphenyl)-N-(carboxymethyl)-glycineChemIDplus
Manual XrefsDatabases
C11369KEGG COMPOUND
Registry NumbersSources
Beilstein:10636569Beilstein
CAS:123632-39-3KEGG COMPOUND
CAS:123632-39-3ChemIDplus