CHEBI:52813 - C7-indocyanine cation

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name C7-indocyanine cation
ChEBI ID CHEBI:52813
Definition The cationic form of a C7 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H37N2
Net Charge +1
Average Mass 437.63890
Monoisotopic Mass 437.29513
InChI InChI=1S/C31H37N2/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/q+1
InChIKey YHNWVIARBYOXLM-UHFFFAOYSA-N
SMILES [H]C(=CC([H])=CC([H])=C1N(CC)c2ccccc2C1(C)C)C=C([H])C1=[N+](CC)c2ccccc2C1(C)C
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 C7-indocyanine cation (CHEBI:52813) has role fluorochrome (CHEBI:51217)
C7-indocyanine cation (CHEBI:52813) is a cyanine dye (CHEBI:37960)
C7-indocyanine cation (CHEBI:52813) is a indolium ion (CHEBI:52840)
Incoming C7-indocyanine (CHEBI:51901) has part C7-indocyanine cation (CHEBI:52813)
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
Last Modified
28 July 2009