Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:52928 - To-Pro-3(2+)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
To-Pro-3(2+)
ChEBI ID
CHEBI:52928
Definition
A cationic C3 cyanine dye having benzothiazolium-2-yl and quinolinium-4-yl substituents.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C26H31N3S
Net Charge
+2
Average Mass
417.60900
Monoisotopic Mass
417.22277
InChI
InChI=1S/C26H31N3S/c1-
27-
24-
14-
7-
8-
15-
25(24)
30-
26(27)
16-
9-
11-
21-
17-
19-
28(18-
10-
20-
29(2,3)
4)
23-
13-
6-
5-
12-
22(21)
23/h5-
9,11-
17,19H,10,18,20H2,1-
4H3/q+2
InChIKey
BBSUOMZZTCYACA-UHFFFAOYSA-N
SMILES
[H]C(=Cc1sc2ccccc2[n+]1C)C([H])=C1C=CN(CCC[N+](C)(C)C)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
To-Pro-3(2+) (
CHEBI:52928
)
has role
fluorochrome (
CHEBI:51217
)
To-Pro-3(2+) (
CHEBI:52928
)
is a
benzothiazolium ion (
CHEBI:52838
)
To-Pro-3(2+) (
CHEBI:52928
)
is a
cyanine dye (
CHEBI:37960
)
To-Pro-3(2+) (
CHEBI:52928
)
is a
quinolinium ion (
CHEBI:52837
)
Incoming
To-Pro-3 (
CHEBI:52297
)
has part
To-Pro-3(2+) (
CHEBI:52928
)
IUPAC Names
3-
methyl-
2-
(3-
{1-
[3-
(trimethylammonio)propyl]quinolin-
4(1
H
)-
ylidene}prop-
1-
en-
1-
yl)-
1,3-
benzothiazol-
3-
ium
4-
[3-
(3-
methyl-
1,3-
benzothiazol-
2(3
H
)-
ylidene)prop-
1-
en-
1-
yl]-
1-
[3-
(trimethylammonio)propyl]quinolinium
Synonyms
Sources
To-Pro-3 cation
ChEBI
To-Pro-3 dication
ChEBI
Last Modified
06 August 2009