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CHEBI:51898 - C5-indocyanine

ChEBI IDCHEBI:51898
ChEBI NameC5-indocyanine
Stars
DefinitionA C5 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
Last Modified24 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC29H35N2.I
Net Charge0
Average Mass538.517
Monoisotopic Mass538.18450
SMILES[H]C(=C([H])C([H])=C1N(CC)c2ccccc2C1(C)C)C([H])=C([H])C1=[N+](CC)c2ccccc2C1(C)C.[I-]
InChIInChI=1S/C29H35N2.HI/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;1H/q+1;/p-1
InChIKeyIWHSKYHCPUDDMY-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
C5-indocyanine (CHEBI:51898) has part C5-indocyanine cation (CHEBI:52807)
C5-indocyanine (CHEBI:51898) has role fluorochrome (CHEBI:51217)
C5-indocyanine (CHEBI:51898) is a Cy5 dye (CHEBI:37989)
C5-indocyanine (CHEBI:51898) is a organic iodide salt (CHEBI:50356)
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 iodide
Synonyms  Source
Indodicarbocyanine (C5)dyeChEBI
C5_DI (C5-di-indolenine)ChEBI