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CHEBI:51901 - C7-indocyanine

ChEBI IDCHEBI:51901
ChEBI NameC7-indocyanine
Stars
DefinitionA C7 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
Last Modified20 May 2010
SubmitterInma Spiteri
DownloadsMolfile
FormulaC31H37N2.I
Net Charge0
Average Mass564.555
Monoisotopic Mass564.20015
SMILES[H]C(=CC([H])=CC([H])=C1N(CC)c2ccccc2C1(C)C)C=C([H])C1=[N+](CC)c2ccccc2C1(C)C.[I-]
InChIInChI=1S/C31H37N2.HI/c1-7-32-26-20-16-14-18-24(26)30(3,4)28(32)22-12-10-9-11-13-23-29-31(5,6)25-19-15-17-21-27(25)33(29)8-2;/h9-23H,7-8H2,1-6H3;1H/q+1;/p-1
InChIKeyMOCQTYXDGSDJGM-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
C7-indocyanine (CHEBI:51901) has part C7-indocyanine cation (CHEBI:52813)
C7-indocyanine (CHEBI:51901) has role fluorochrome (CHEBI:51217)
C7-indocyanine (CHEBI:51901) is a cyanine dye (CHEBI:37960)
C7-indocyanine (CHEBI:51901) is a organic iodide salt (CHEBI:50356)
Incoming Relation(s)
Cy7 dye (CHEBI:52718) has functional parent C7-indocyanine (CHEBI:51901)
diIC18(7) dye (CHEBI:52033) has functional parent C7-indocyanine (CHEBI:51901)
omocianine (CHEBI:59529) has functional parent C7-indocyanine (CHEBI:51901)
IUPAC Name 
1-ethyl-2-[7-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3,3-dimethyl-3H-indolium iodide
Synonym  Source
Indotricarbocyanine (C7) dyeChEBI