CHEBI:52004 - Cy3B dye NHS ester

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ChEBI Name Cy3B dye NHS ester
ChEBI ID CHEBI:52004
Definition A fluorescent dye with a maximum emission wavelength of 572 nm, derived from a heteroheptacyclic ring system.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C35H35N3O8S
Net Charge 0
Average Mass 657.73300
Monoisotopic Mass 657.21449
InChI InChI=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
InChIKey PLHHGVSUNRYQLJ-UHFFFAOYSA-N
SMILES CC1(C)c2cc(CC(=O)ON3C(=O)CCC3=O)ccc2N2CCC3OC4CC[N+]5=C(C4=CC3=C12)C(C)(C)c1cc(ccc51)S([O-])(=O)=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
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ChEBI Ontology
Outgoing 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 ester ChEBI
Registry Number Type Source
10509552 Beilstein Registry Number Beilstein
Last Modified
31 March 2014