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CHEBI:51885 - BODIPY 630/650-X

ChEBI IDCHEBI:51885
ChEBI NameBODIPY 630/650-X
Stars
Last Modified3 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC33H31BF2N4O6S
Net Charge0
Average Mass660.508
Monoisotopic Mass660.20254
SMILES[H]C(=C([H])c1ccc(OCC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)cc1)C1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1
InChIInChI=1S/C33H31BF2N4O6S/c35-34(36)38-24(11-12-25(38)21-26-13-16-28(39(26)34)29-5-4-20-47-29)10-7-23-8-14-27(15-9-23)45-22-30(41)37-19-3-1-2-6-33(44)46-40-31(42)17-18-32(40)43/h4-5,7-16,20-21H,1-3,6,17-19,22H2,(H,37,41)
InChIKeyTZBGLTNFAMQEEZ-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
BODIPY 630/650-X (CHEBI:51885) has functional parent 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (CHEBI:51107)
BODIPY 630/650-X (CHEBI:51885) has role fluorochrome (CHEBI:51217)
BODIPY 630/650-X (CHEBI:51885) is a BODIPY dye (CHEBI:51123)
BODIPY 630/650-X (CHEBI:51885) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-{4-[2-(2-{[5-(thiophen-2-yl)-1H-pyrrol-2-yl-κN]methylene}-2H-pyrrol-5-yl-κN)ethenyl]phenoxy}acetamidato)(difluoro)boron
Synonym  Source
6-(((4,4-difluoro-5-(2-thienyl)-4-bora-3a,4a-diaza-s- indacene-3-yl)styryloxy)acetyl)aminohexanoic acidChEBI