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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:52888 - PoPo-3(4+)
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ChEBI Ontology
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ChEBI Name
PoPo-3(4+)
ChEBI ID
CHEBI:52888
Definition
The tetracation of PoPo-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
C45H58N6O2
Net Charge
+4
Average Mass
714.98100
Monoisotopic Mass
714.45993
InChI
InChI=1S/C45H58N6O2/c1-
46-
40-
18-
7-
9-
20-
42(40)
52-
44(46)
22-
11-
16-
38-
24-
30-
48(31-
25-
38)
28-
13-
34-
50(3,4)
36-
15-
37-
51(5,6)
35-
14-
29-
49-
32-
26-
39(27-
33-
49)
17-
12-
23-
45-
47(2)
41-
19-
8-
10-
21-
43(41)
53-
45/h7-
12,16-
27,30-
33H,13-
15,28-
29,34-
37H2,1-
6H3/q+4
InChIKey
SLTZZOSPGYEHBN-UHFFFAOYSA-N
SMILES
[H]
C(=C([H]
)
c1oc2ccccc2[n+]
1C)
C([H]
)
=C1C=CN(CCC[N+]
(C)
(C)
CCC[N+]
(C)
(C)
CCCN2C=CC(C=C2)
=C([H]
)
C([H]
)
=C([H]
)
c2oc3ccccc3[n+]
2C)
C=C1
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
PoPo-3(4+) (
CHEBI:52888
)
has role
fluorochrome (
CHEBI:51217
)
PoPo-3(4+) (
CHEBI:52888
)
is a
benzoxazolium ion (
CHEBI:52841
)
PoPo-3(4+) (
CHEBI:52888
)
is a
cyanine dye (
CHEBI:37960
)
PoPo-3(4+) (
CHEBI:52888
)
is a
pyridinium ion (
CHEBI:50334
)
PoPo-3(4+) (
CHEBI:52888
)
is a
quaternary ammonium ion (
CHEBI:35267
)
Incoming
PoPo-3 (
CHEBI:52220
)
is a
PoPo-3(4+) (
CHEBI:52888
)
IUPAC Names
1,1'-
{propane-
1,3-
diylbis[(dimethylazaniumdiyl)propane-
3,1-
diyl]}bis{4-
[3-
(3-
methyl-
1,3-
benzoxazol-
2(3
H
)-
ylidene)prop-
1-
en-
1-
yl]pyridinium}
2,2'-
{propane-
1,3-
diylbis[(dimethylazaniumdiyl)propane-
3,1-
diylpyridin-
1-
yl-
4-
ylideneprop-
1-
en-
1-
yl-
3-
ylidene]}bis(3-
methyl-
1,3-
benzoxazol-
3-
ium)
Synonym
Source
PoPo-3 cation
ChEBI
Last Modified
08 July 2010