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:52889 - QSY21 succinimidyl ester(1+)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
QSY21 succinimidyl ester(1+)
ChEBI ID
CHEBI:52889
Definition
A cationic fluorescent dye derived from 9-phenylxanthene.
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
Formula
C45H39N4O7S
Net Charge
+1
Average Mass
779.87900
Monoisotopic Mass
779.25340
InChI
InChI=1S/C45H39N4O7S/c50-
42-
17-
18-
43(51)
49(42)
56-
45(52)
29-
19-
21-
48(22-
20-
29)
57(53,54)
41-
12-
6-
5-
11-
38(41)
44-
36-
15-
13-
34(46-
25-
30-
7-
1-
2-
8-
31(30)
26-
46)
23-
39(36)
55-
40-
24-
35(14-
16-
37(40)
44)
47-
27-
32-
9-
3-
4-
10-
33(32)
28-
47/h1-
16,23-
24,29H,17-
22,25-
28H2/q+1
InChIKey
LCFGPDFLDYPBCY-UHFFFAOYSA-N
SMILES
O=C1CCC(=O)
N1OC(=O)
C1CCN(CC1)
S(=O)
(=O)
c1ccccc1C1=c2ccc(cc2Oc2cc(ccc12)
N1Cc2ccccc2C1)
=[N+]
1Cc2ccccc2C1
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
dye
(via
xanthene dye
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
QSY21 succinimidyl ester(1+) (
CHEBI:52889
)
has role
fluorochrome (
CHEBI:51217
)
QSY21 succinimidyl ester(1+) (
CHEBI:52889
)
is a
iminium ion (
CHEBI:35286
)
QSY21 succinimidyl ester(1+) (
CHEBI:52889
)
is a
xanthene dye (
CHEBI:37929
)
Incoming
QSY21 succinimidyl ester (
CHEBI:52252
)
has part
QSY21 succinimidyl ester(1+) (
CHEBI:52889
)
IUPAC Name
2-
[6-
(1,3-
dihydro-
2
H
-
isoindol-
2-
yl)-
9-
{2-
[(4-
{[(2,5-
dioxopyrrolidin-
1-
yl)oxy]carbonyl}piperidin-
1-
yl)sulfonyl]phenyl}-
3
H
-
xanthen-
3-
ylidene]-
2,3-
dihydro-
1
H
-
isoindolium
Last Modified
31 July 2009