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:52823 - DY-636(1−)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
DY-636(1−)
ChEBI ID
CHEBI:52823
ChEBI ASCII Name
DY-636(1-)
Definition
An anionic C3 cyanine-type compound having indoleinine and tetrahydropyrano[2,3-
f
]pyrido[3,2,1-
ij
]quinoline substituents at either end.
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
C38H45N2O9S2
Net Charge
-1
Average Mass
737.90200
Monoisotopic Mass
737.25720
InChI
InChI=1S/C38H46N2O9S2/c1-
37(2,3)
33-
23-
25(29-
22-
26-
11-
7-
18-
39-
19-
8-
12-
28(35(26)
39)
36(29)
49-
33)
10-
5-
13-
32-
38(4,17-
6-
14-
34(41)
42)
30-
24-
27(51(46,47)
48)
15-
16-
31(30)
40(32)
20-
9-
21-
50(43,44)
45/h5,10,13,15-
16,22-
24H,6-
9,11-
12,14,17-
21H2,1-
4H3,(H2-
,41,42,43,44,45,46,47,48)
/p-
1
InChIKey
UEZIPWNLFSPNKN-UHFFFAOYSA-M
SMILES
[H]
C(=C([H]
)
c1cc([o+]
c2c3CCCN4CCCc(cc12)
c34)
C(C)
(C)
C)
C([H]
)
=C1N(CCCS([O-
]
)
(=O)
=O)
c2ccc(cc2C1(C)
CCCC(O)
=O)
S([O-
]
)
(=O)
=O
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
DY-636(1−) (
CHEBI:52823
)
has role
fluorochrome (
CHEBI:51217
)
DY-636(1−) (
CHEBI:52823
)
is a
organosulfonate oxoanion (
CHEBI:33554
)
Incoming
DY-636 (
CHEBI:51952
)
has part
DY-636(1−) (
CHEBI:52823
)
IUPAC Name
2-
[3-
(11-
tert
-
butyl-
2,3,6,7-
tetrahydro-
1
H
,5
H
-
pyrano[2,3-
f
]pyrido[3,2,1-
ij
]quinolin-
12-
ium-
9-
yl)prop-
2-
en-
1-
ylidene]-
3-
(3-
carboxypropyl)-
3-
methyl-
1-
(3-
sulfonatopropyl)indoline-
5-
sulfonate
Last Modified
28 July 2009