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CHEBI:52720 - CypHer5

Default Structure
ChEBI IDCHEBI:52720
ChEBI NameCypHer5
Stars
DefinitionA C5-cyanine dye having differentially-substituted 2-indolyl units at each end.
Last Modified9 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC31H36N2O8S2
Net Charge0
Average Mass628.769
Monoisotopic Mass628.19131
SMILES[H]C(=CC([H])=C1N(CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)C)C=C([H])C1=Nc2ccc(S(=O)(=O)O)cc2C1(C)C
InChIInChI=1S/C31H36N2O8S2/c1-30(2)23-19-21(42(36,37)38)14-16-25(23)32-27(30)11-7-5-8-12-28-31(3,4)24-20-22(43(39,40)41)15-17-26(24)33(28)18-10-6-9-13-29(34)35/h5,7-8,11-12,14-17,19-20H,6,9-10,13,18H2,1-4H3,(H,34,35)(H,36,37,38)(H,39,40,41)
InChIKeyVRQVBVFJEIJSIE-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
CypHer5 (CHEBI:52720) has role fluorochrome (CHEBI:51217)
CypHer5 (CHEBI:52720) is a cyanine dye (CHEBI:37960)
IUPAC Name 
6-{2-[5-(3,3-dimethyl-5-sulfo-3H-indol-2-yl)penta-2,4-dien-1-ylidene]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-1-yl}hexanoic acid