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CHEBI:51935 - BODIPY TR methyl ester

ChEBI IDCHEBI:51935
ChEBI NameBODIPY TR methyl ester
Stars
Last Modified3 March 2015
SubmitterInma Spiteri
DownloadsMolfile
FormulaC22H17BF2N2O3S
Net Charge0
Average Mass438.264
Monoisotopic Mass438.10210
SMILESCOC(=O)COc1ccc(C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1
InChIInChI=1S/C22H17BF2N2O3S/c1-29-22(28)14-30-18-8-4-15(5-9-18)19-10-6-16-13-17-7-11-20(21-3-2-12-31-21)27(17)23(24,25)26(16)19/h2-13H,14H2,1H3
InChIKeyHQMDVGPFFTVIIE-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
BODIPY TR methyl ester (CHEBI:51935) has functional parent 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (CHEBI:51107)
BODIPY TR methyl ester (CHEBI:51935) has role fluorochrome (CHEBI:51217)
BODIPY TR methyl ester (CHEBI:51935) is a BODIPY dye (CHEBI:51123)
BODIPY TR methyl ester (CHEBI:51935) is a methyl ester (CHEBI:25248)
IUPAC Name 
difluoro{methyl [4-(2-{[5-(thiophen-2-yl)-1H-pyrrol-2-yl-κN]methylene}-2H-pyrrol-5-yl-κN)phenoxy]acetatato}boron
Synonym  Source
CellTrace BODIPY TR methyl esterChEBI