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CHEBI:51892 - BODIPY TR-X

ChEBI IDCHEBI:51892
ChEBI NameBODIPY TR-X
Stars
Last Modified12 March 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC31H29BF2N4O6S
Net Charge0
Average Mass634.470
Monoisotopic Mass634.18689
SMILESO=C(COc1ccc(C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C31H29BF2N4O6S/c33-32(34)36-22(19-23-10-14-26(37(23)32)27-5-4-18-45-27)9-13-25(36)21-7-11-24(12-8-21)43-20-28(39)35-17-3-1-2-6-31(42)44-38-29(40)15-16-30(38)41/h4-5,7-14,18-19H,1-3,6,15-17,20H2,(H,35,39)
InChIKeyNCYPKNAEMUYMBG-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
BODIPY TR-X (CHEBI:51892) has role fluorochrome (CHEBI:51217)
BODIPY TR-X (CHEBI:51892) is a BODIPY dye (CHEBI:51123)
BODIPY TR-X (CHEBI:51892) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-[4-(2-{[5-(thiophen-2-yl)-1H-pyrrol-2-yl-κN]methylene}-2H-pyrrol-5-yl-κN)phenoxy]acetamidato)(difluoro)boron
Synonym  Source
6-(((4-(4,4-difluoro-5-(2-thienyl)-4-bora-3a,4a-diaza-s-indacene-3-yl)phenoxy)acetyl)amino)hexanoic acid, succinimidyl esterChEBI