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CHEBI:64998 - nicotine blue(2−)
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ChEBI Name
nicotine blue(2−)
ChEBI ID
CHEBI:64998
ChEBI ASCII Name
nicotine blue(2-)
Definition
An organic anion obtained by selective deprotonation of the hydroxy groups at positions 2 and 2' of nicotine blue; major species at pH 7.3 (according to Marvin v 6.2.0.).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Anne Morgat
Secondary ChEBI IDs
CHEBI:77849
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Formula
C10H4N2O6
Net Charge
-2
Average Mass
248.14970
Monoisotopic Mass
248.00803
InChI
InChI=1S/C10H6N2O6/c13-
5-
1-
3(7(15)
11-
9(5)
17)
4-
2-
6(14)
10(18)
12-
8(4)
16/h1-
2,13-
14H,(H,11,15,17)
(H,12,16,18)
/p-
2/b4-
3+
InChIKey
JUTQRXXDIORLET-ONEGZZNKSA-L
SMILES
OC1=C\C(C([O-])=NC1=O)=C1\C=C(O)C(=O)N=C1[O-]
ChEBI Ontology
Outgoing
nicotine blue(2−) (
CHEBI:64998
)
is a
organic anion (
CHEBI:25696
)
nicotine blue(2−) (
CHEBI:64998
)
is conjugate base of
nicotine blue (
CHEBI:65011
)
Incoming
nicotine blue (
CHEBI:65011
)
is conjugate acid of
nicotine blue(2−) (
CHEBI:64998
)
IUPAC Name
(5
E
)-
6-
hydroxy-
5-
(2-
hydroxy-
5-
oxido-
6-
oxopyridin-
3(6
H
)-
ylidene)-
2-
oxo-
2,5-
dihydropyridin-
3-
olate
Synonyms
Sources
(
E
)-2,2',5,5'-tetrahydroxy-6
H
,6'
H
-(3,3'-bipyridinylidene)-6,6'-dione
UniProt
nicotine blue
SUBMITTER
Manual Xref
Database
CPD-14081
MetaCyc
View more database links
Citation
Type
Source
17293530
PubMed citation
SUBMITTER
Last Modified
30 May 2017