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CHEBI:51893 - BODIPY 650/665-X

Default Structure
ChEBI IDCHEBI:51893
ChEBI NameBODIPY 650/665-X
Stars
Last Modified3 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC33H32BF2N5O6
Net Charge0
Average Mass643.456
Monoisotopic Mass643.24137
SMILES[H]C(=C([H])c1ccc(OCC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)cc1)C1=[N+]2C(=Cc3ccc(-c4cccn4)n3[B-]2(F)F)C=C1
InChIInChI=1S/C33H32BF2N5O6/c35-34(36)39-24(11-12-25(39)21-26-13-16-29(40(26)34)28-5-4-20-37-28)10-7-23-8-14-27(15-9-23)46-22-30(42)38-19-3-1-2-6-33(45)47-41-31(43)17-18-32(41)44/h4-5,7-16,20-21,37H,1-3,6,17-19,22H2,(H,38,42)
InChIKeyCDXXFTJLAKSQSR-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
BODIPY 650/665-X (CHEBI:51893) has functional parent 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (CHEBI:51107)
BODIPY 650/665-X (CHEBI:51893) has role fluorochrome (CHEBI:51217)
BODIPY 650/665-X (CHEBI:51893) is a BODIPY dye (CHEBI:51123)
BODIPY 650/665-X (CHEBI:51893) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(2-[4-(2-{2-[(1H,1'H-2,2'-bipyrrol-5-yl-κN~1~)methylene]-2H-pyrrol-5-yl-κN}ethenyl)phenoxy]-N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}acetamidato)(difluoro)boron
Synonym  Source
6-(((4,4-difluoro-5-(2-pyrrolyl)-4-bora-3a,4a-diaza-s-indacene-3-yl)styryloxy)acetyl)aminohexanoic acid, succinimidyl esterChEBI