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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:52807 - C5-indocyanine cation
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ChEBI Name
C5-indocyanine cation
ChEBI ID
CHEBI:52807
Definition
The cationic form of a C5 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C29H35N2
Net Charge
+1
Average Mass
411.60160
Monoisotopic Mass
411.27948
InChI
InChI=1S/C29H35N2/c1-
7-
30-
24-
18-
14-
12-
16-
22(24)
28(3,4)
26(30)
20-
10-
9-
11-
21-
27-
29(5,6)
23-
17-
13-
15-
19-
25(23)
31(27)
8-
2/h9-
21H,7-
8H2,1-
6H3/q+1
InChIKey
KYFRKHUJZPDPDS-UHFFFAOYSA-N
SMILES
[H]C(=C([H])C([H])=C1N(CC)c2ccccc2C1(C)C)C([H])=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
C5-indocyanine cation (
CHEBI:52807
)
has role
fluorochrome (
CHEBI:51217
)
C5-indocyanine cation (
CHEBI:52807
)
is a
Cy5 dye (
CHEBI:37989
)
C5-indocyanine cation (
CHEBI:52807
)
is a
indolium ion (
CHEBI:52840
)
Incoming
C5-indocyanine (
CHEBI:51898
)
has part
C5-indocyanine cation (
CHEBI:52807
)
IUPAC Name
1-
ethyl-
2-
[5-
(1-
ethyl-
3,3-
dimethyl-
1,3-
dihydro-
2
H
-
indol-
2-
ylidene)penta-
1,3-
dien-
1-
yl]-
3,3-
dimethyl-
3
H
-
indolium
Last Modified
28 July 2009