EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52718 - Cy7 dye

ChEBI IDCHEBI:52718
ChEBI NameCy7 dye
Stars
DefinitionA C7-cyanine dye having differentially-substituted 2-indolyl units at each end.
Last Modified22 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC31H34N2O8S2
Net Charge0
Average Mass626.753
Monoisotopic Mass626.17566
SMILES[H]C(=CC([H])=CC([H])=C1Cc2cc(S(=O)(=O)O)ccc2N1CC)C=C([H])C1=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1
InChIInChI=1S/C31H34N2O8S2/c1-2-32-25(19-23-21-27(42(36,37)38)14-16-29(23)32)11-7-4-3-5-8-12-26-20-24-22-28(43(39,40)41)15-17-30(24)33(26)18-10-6-9-13-31(34)35/h3-5,7-8,11-12,14-17,21-22H,2,6,9-10,13,18-20H2,1H3,(H2-,34,35,36,37,38,39,40,41)
InChIKeyLOPCOKFMJOYXHI-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Cy7 dye (CHEBI:52718) has functional parent C7-indocyanine (CHEBI:51901)
Cy7 dye (CHEBI:52718) has role fluorochrome (CHEBI:51217)
Cy7 dye (CHEBI:52718) is a cyanine dye (CHEBI:37960)
IUPAC Names 
1-(5-carboxypentyl)-2-[7-(1-ethyl-5-sulfo-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3H-indolium-5-sulfonate
2-{7-[1-(5-carboxypentyl)-5-sulfo-1,3-dihydro-2H-indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1-ethyl-3H-indolium-5-sulfonate