CHEBI:51905 - calcein red-orange

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ChEBI Name calcein red-orange
ChEBI ID CHEBI:51905
Definition A BODIPY dye-based amide conjugate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C35H42BF2N5O13
Net Charge 0
Average Mass 789.54169
Monoisotopic Mass 789.28402
InChI InChI=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)
InChIKey WFHBUNFOPLJWOX-UHFFFAOYSA-N
SMILES CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)C(CCCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1ccc(-c3ccc[nH]3)n1[B-]2(F)F)C(=O)OCOC(C)=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via BODIPY dye )
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ChEBI Ontology
Outgoing 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-O ChEBI
Last Modified
09 July 2009