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ChEBI
> Main
CHEBI:52886 - Po-Pro-3(2+)
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ChEBI Name
Po-Pro-3(2+)
ChEBI ID
CHEBI:52886
Definition
An unsymmetrical C3 cyanine dye having 1,3-benzoxazol-2-yl and pyridinium-4-yl substituents at each end.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C22H29N3O
Net Charge
+2
Average Mass
351.48520
Monoisotopic Mass
351.22997
InChI
InChI=1S/C22H29N3O/c1-
23-
20-
10-
5-
6-
11-
21(20)
26-
22(23)
12-
7-
9-
19-
13-
16-
24(17-
14-
19)
15-
8-
18-
25(2,3)
4/h5-
7,9-
14,16-
17H,8,15,18H2,1-
4H3/q+2
InChIKey
IRNFZNDMEONWJL-UHFFFAOYSA-N
SMILES
[H]C(=C([H])c1oc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)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
Po-Pro-3(2+) (
CHEBI:52886
)
has role
fluorochrome (
CHEBI:51217
)
Po-Pro-3(2+) (
CHEBI:52886
)
is a
benzoxazolium ion (
CHEBI:52841
)
Po-Pro-3(2+) (
CHEBI:52886
)
is a
cyanine dye (
CHEBI:37960
)
Po-Pro-3(2+) (
CHEBI:52886
)
is a
pyridinium ion (
CHEBI:50334
)
Po-Pro-3(2+) (
CHEBI:52886
)
is a
quaternary ammonium ion (
CHEBI:35267
)
Incoming
Po-Pro-3 (
CHEBI:52238
)
has part
Po-Pro-3(2+) (
CHEBI:52886
)
IUPAC Names
3-
methyl-
2-
(3-
{1-
[3-
(trimethylammonio)propyl]pyridin-
4(1
H
)-
ylidene}prop-
1-
en-
1-
yl)-
1,3-
benzoxazol-
3-
ium
4-
[3-
(3-
methyl-
1,3-
benzoxazol-
2(3
H
)-
ylidene)prop-
1-
en-
1-
yl]-
1-
[3-
(trimethylammonio)propyl]pyridinium
Synonym
Source
Po-Pro-3 cation
ChEBI
Last Modified
31 July 2009