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CHEBI:51905 - calcein red-orange

ChEBI IDCHEBI:51905
ChEBI Namecalcein red-orange
Stars
DefinitionA BODIPY dye-based amide conjugate.
Last Modified9 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC35H42BF2N5O13
Net Charge0
Average Mass789.551
Monoisotopic Mass789.28402
SMILESCC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)C(CCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccn4)n3[B-]2(F)F)C=C1)C(=O)OCOC(C)=O
InChIInChI=1S/C35H42BF2N5O13/c1-23(44)51-20-54-33(48)18-41(19-34(49)55-21-52-24(2)45)31(35(50)56-22-53-25(3)46)8-4-5-15-40-32(47)14-12-26-9-10-27-17-28-11-13-30(29-7-6-16-39-29)43(28)36(37,38)42(26)27/h6-7,9-11,13,16-17,31,39H,4-5,8,12,14-15,18-22H2,1-3H3,(H,40,47)
InChIKeyWFHBUNFOPLJWOX-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
calcein red-orange (CHEBI:51905) has functional parent 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (CHEBI:51107)
calcein red-orange (CHEBI:51905) has role fluorochrome (CHEBI:51217)
calcein red-orange (CHEBI:51905) is a BODIPY dye (CHEBI:51123)
IUPAC Name 
[(acetyloxy)methyl N2,N2-bis{2-[(acetyloxy)methoxy]-2-oxoethyl}-N6-(3-{2-[(1H,1'H-2,2'-bipyrrol-5-yl-κN1)methylidene]-2H-pyrrol-5-yl-κN}propanoyl)lysinatato](difluoro)boron
Synonym  Source
Calcein R-OChEBI