EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:38047 - Cy5-monofunctional dye(1−)

ChEBI IDCHEBI:38047
ChEBI NameCy5-monofunctional dye(1−)
Stars
ASCII NameCy5-monofunctional dye(1-)
Last Modified27 August 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC37H42N3O10S2
Net Charge-1
Average Mass752.888
Monoisotopic Mass752.23171
SMILES[H]C(=CC([H])=C1N(CC)c2ccc(S(=O)(=O)[O-])cc2C1(C)C)C=C([H])C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C
InChIInChI=1S/C37H43N3O10S2/c1-6-38-29-18-16-25(51(44,45)46)23-27(29)36(2,3)31(38)13-9-7-10-14-32-37(4,5)28-24-26(52(47,48)49)17-19-30(28)39(32)22-12-8-11-15-35(43)50-40-33(41)20-21-34(40)42/h7,9-10,13-14,16-19,23-24H,6,8,11-12,15,20-22H2,1-5H3,(H-,44,45,46,47,48,49)/p-1
InChIKeyWXWLHDCCGVWTDZ-UHFFFAOYSA-M
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
Cy5-monofunctional dye(1−) (CHEBI:38047) is a Cy5 dye (CHEBI:37989)
Cy5-monofunctional dye(1−) (CHEBI:38047) is a organosulfonate oxoanion (CHEBI:33554)
IUPAC Names 
1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-[5-(1-ethyl-3,3-dimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indolium-5-sulfonate
2-[5-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate
Registry NumbersSources
Beilstein:7330311Beilstein