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CHEBI:52004 - Cy3B dye NHS ester

ChEBI IDCHEBI:52004
ChEBI NameCy3B dye NHS ester
Stars
DefinitionA fluorescent dye with a maximum emission wavelength of 572 nm, derived from a heteroheptacyclic ring system.
Last Modified31 March 2014
SubmitterInma Spiteri
DownloadsMolfile
FormulaC35H35N3O8S
Net Charge0
Average Mass657.745
Monoisotopic Mass657.21449
SMILESCC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)ON3C(=O)CCC3=O)cc21)c1ccc(S(=O)(=O)[O-])cc1C5(C)C
InChIInChI=1S/C35H35N3O8S/c1-34(2)23-15-19(16-31(41)46-38-29(39)9-10-30(38)40)5-7-25(23)36-13-11-27-21(32(34)36)18-22-28(45-27)12-14-37-26-8-6-20(47(42,43)44)17-24(26)35(3,4)33(22)37/h5-8,15,17-18,27-28H,9-14,16H2,1-4H3
InChIKeyPLHHGVSUNRYQLJ-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Cy3B dye NHS ester (CHEBI:52004) has role fluorochrome (CHEBI:51217)
Cy3B dye NHS ester (CHEBI:52004) is a cyanine dye (CHEBI:37960)
Cy3B dye NHS ester (CHEBI:52004) is a iminium betaine (CHEBI:35285)
Cy3B dye NHS ester (CHEBI:52004) is a organic heteroheptacyclic compound (CHEBI:52157)
IUPAC Names 
14-{2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2'',3'']indolizino[8'',7'':5',6']pyrano[3',2':3,4]pyrido[1,2-a]indol-5-ium-2-sulfonate
2-{2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2'',3'']indolizino[8'',7'':5',6']pyrano[3',2':3,4]pyrido[1,2-a]indol-5-ium-14-sulfonate
Synonym  Source
Cy3B dye N-hydroxysuccinimidyl esterChEBI
Registry NumbersSources
Beilstein:10509552Beilstein