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ChEBI
> Main
CHEBI:51801 - ATTO 495-2
Main
ChEBI Ontology
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ChEBI Name
ATTO 495-2
ChEBI ID
CHEBI:51801
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
ZINC000003861733
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Formula
C21H26ClN3O6
Net Charge
0
Average Mass
451.90046
Monoisotopic Mass
451.15101
InChI
InChI=1S/C21H25N3O2.ClHO4/c1-
22(2)
17-
9-
7-
15-
12-
16-
8-
10-
18(23(3)
4)
14-
20(16)
24(19(15)
13-
17)
11-
5-
6-
21(25)
26;2-
1(3,4)
5/h7-
10,12-
14H,5-
6,11H2,1-
4H3;(H,2,3,4,5)
InChIKey
KCYUESOHZRSRGP-UHFFFAOYSA-N
SMILES
[O-]Cl(=O)(=O)=O.CN(C)c1ccc2cc3ccc(cc3[n+](CCCC(O)=O)c2c1)N(C)C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ATTO 495-2 (
CHEBI:51801
)
has functional parent
ATTO 465-2 (
CHEBI:51787
)
ATTO 495-2 (
CHEBI:51801
)
has part
ATTO 495-2(1+) (
CHEBI:52793
)
ATTO 495-2 (
CHEBI:51801
)
is a
monocarboxylic acid (
CHEBI:25384
)
Incoming
ATTO 495-3 (
CHEBI:51806
)
has functional parent
ATTO 495-2 (
CHEBI:51801
)
ATTO 495-4 (
CHEBI:51809
)
has functional parent
ATTO 495-2 (
CHEBI:51801
)
ATTO 495-7 (
CHEBI:51810
)
has functional parent
ATTO 495-2 (
CHEBI:51801
)
IUPAC Name
10-(3-carboxypropyl)-3,6-bis(dimethylamino)acridinium perchlorate
Synonym
Source
ATTO 495 free acid
ChEBI
Last Modified
23 July 2009