CHEBI:52819 - diOC18(3)(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name diOC18(3)(1+)
ChEBI ID CHEBI:52819
Definition The cationic form of a C3 cyanine dye having 3-octadecyl-1,3-benzoxazol-2(3H)-yl units at each end.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C53H85N2O2
Net Charge +1
Average Mass 782.25420
Monoisotopic Mass 781.66056
InChI InChI=1S/C53H85N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-54-48-40-33-35-42-50(48)56-52(54)44-39-45-53-55(49-41-34-36-43-51(49)57-53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,39-45H,3-32,37-38,46-47H2,1-2H3/q+1
InChIKey OVZNYHIJJRAIQL-UHFFFAOYSA-N
SMILES [H]C(=C([H])c1oc2ccccc2[n+]1CCCCCCCCCCCCCCCCCC)C([H])=C1Oc2ccccc2N1CCCCCCCCCCCCCCCCCC
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing diOC18(3)(1+) (CHEBI:52819) has role fluorochrome (CHEBI:51217)
diOC18(3)(1+) (CHEBI:52819) is a 1,3-benzoxazoles (CHEBI:51548)
diOC18(3)(1+) (CHEBI:52819) is a benzoxazolium ion (CHEBI:52841)
diOC18(3)(1+) (CHEBI:52819) is a Cy3 dye (CHEBI:37987)
Incoming diOC18(3) dye (CHEBI:52032) has part diOC18(3)(1+) (CHEBI:52819)
IUPAC Name
3-octadecyl-2-[3-(3-octadecyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
Last Modified
28 July 2009