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:51823 - ATTO 590
para
-isomer
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
ATTO 590
para
-isomer
ChEBI ID
CHEBI:51823
ChEBI ASCII Name
ATTO 590 para-isomer
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
C36H37ClN2O9
Net Charge
0
Average Mass
677.14000
Monoisotopic Mass
676.21876
InChI
InChI=1S/C36H36N2O5.ClHO4/c1-
8-
37-
28-
17-
30-
26(14-
21(28)
12-
13-
35(37,4)
5)
32(25-
15-
22(33(39)
40)
10-
11-
23(25)
34(41)
42)
27-
16-
24-
20(3)
19-
36(6,7)
38(9-
2)
29(24)
18-
31(27)
43-
30;2-
1(3,4)
5/h10-
19H,8-
9H2,1-
7H3,(H-
,39,40,41,42)
;(H,2,3,4,5)
InChIKey
JWFILYKQXSGKIU-UHFFFAOYSA-N
SMILES
[O-]Cl(=O)(=O)=O.CCN1c2cc3Oc4cc5=[N+](CC)C(C)(C)C=Cc5cc4=C(c3cc2C(C)=CC1(C)C)c1cc(ccc1C(O)=O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
(via
ATTO 590
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ATTO 590
para
-isomer (
CHEBI:51823
)
has part
ATTO 590
para
-isomer(1+) (
CHEBI:52798
)
ATTO 590
para
-isomer (
CHEBI:51823
)
has role
fluorochrome (
CHEBI:51217
)
ATTO 590
para
-isomer (
CHEBI:51823
)
is a
ATTO 590 (
CHEBI:51820
)
IUPAC Name
6-
(2,5-
dicarboxyphenyl)-
1,11-
diethyl-
2,2,8,10,10-
pentamethyl-
10,11-
dihydro-
2
H
-
pyrano[3,2-
g
:5,6-
g
']diquinolin-
1-
ium perchlorate
Synonym
Source
ATTO 590 free 2,5-dicarboxylic acid
ChEBI
Last Modified
06 March 2012