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CHEBI:52807 - C5-indocyanine cation

ChEBI IDCHEBI:52807
ChEBI NameC5-indocyanine cation
Stars
DefinitionThe cationic form of a C5 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC29H35N2
Net Charge+1
Average Mass411.613
Monoisotopic Mass411.27948
SMILES[H]C(=C([H])C([H])=C1N(CC)c2ccccc2C1(C)C)C([H])=C([H])C1=[N+](CC)c2ccccc2C1(C)C
InChIInChI=1S/C29H35N2/c1-7-30-24-18-14-12-16-22(24)28(3,4)26(30)20-10-9-11-21-27-29(5,6)23-17-13-15-19-25(23)31(27)8-2/h9-21H,7-8H2,1-6H3/q+1
InChIKeyKYFRKHUJZPDPDS-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
C5-indocyanine cation (CHEBI:52807) has role fluorochrome (CHEBI:51217)
C5-indocyanine cation (CHEBI:52807) is a Cy5 dye (CHEBI:37989)
C5-indocyanine cation (CHEBI:52807) is a indolium ion (CHEBI:52840)
Incoming Relation(s)
C5-indocyanine (CHEBI:51898) has part C5-indocyanine cation (CHEBI:52807)
IUPAC Name 
1-ethyl-2-[5-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indolium