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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52947 - YoYo-1(4+)
Main
ChEBI Ontology
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ChEBI Name
YoYo-1(4+)
ChEBI ID
CHEBI:52947
Definition
The tetracation of YoYo-1 dye.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C49H58N6O2
Net Charge
+4
Average Mass
763.02380
Monoisotopic Mass
762.45993
InChI
InChI=1S/C49H58N6O2/c1-
50-
44-
22-
11-
13-
24-
46(44)
56-
48(50)
36-
38-
26-
30-
52(42-
20-
9-
7-
18-
40(38)
42)
28-
15-
32-
54(3,4)
34-
17-
35-
55(5,6)
33-
16-
29-
53-
31-
27-
39(41-
19-
8-
10-
21-
43(41)
53)
37-
49-
51(2)
45-
23-
12-
14-
25-
47(45)
57-
49/h7-
14,18-
27,30-
31,36-
37H,15-
17,28-
29,32-
35H2,1-
6H3/q+4
InChIKey
HVBLAWIIVRQTOV-UHFFFAOYSA-N
SMILES
[H]
C(=C1Oc2ccccc2N1C)
c1cc[n+]
(CCC[N+]
(C)
(C)
CCC[N+]
(C)
(C)
CCC[n+]
2ccc(C([H]
)
=C3Oc4ccccc4N3C)
c3ccccc23)
c2ccccc12
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
YoYo-1(4+) (
CHEBI:52947
)
has role
fluorochrome (
CHEBI:51217
)
YoYo-1(4+) (
CHEBI:52947
)
is a
benzoxazolium ion (
CHEBI:52841
)
YoYo-1(4+) (
CHEBI:52947
)
is a
cyanine dye (
CHEBI:37960
)
YoYo-1(4+) (
CHEBI:52947
)
is a
quaternary ammonium ion (
CHEBI:35267
)
YoYo-1(4+) (
CHEBI:52947
)
is a
quinolinium ion (
CHEBI:52837
)
Incoming
YoYo-1 (
CHEBI:51224
)
has part
YoYo-1(4+) (
CHEBI:52947
)
IUPAC Names
1,1'-
{propane-
1,3-
diylbis[(dimethylammonio)propane-
3,1-
diyl]}bis{4-
[(3-
methyl-
1,3-
benzoxazol-
2(3
H
)-
ylidene)methyl]quinolinium}
2,2'-
{propane-
1,3-
diylbis[(dimethylammonio)propane-
3,1-
diylquinolin-
1-
yl-
4-
ylidenemethylylidene]}bis(3-
methyl-
1,3-
benzoxazol-
3-
ium)
Synonyms
Sources
YoYo-1 cation
ChEBI
YoYo-1 tetracation
ChEBI
Last Modified
06 August 2009