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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:65011 - nicotine blue
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ChEBI Ontology
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ChEBI Name
nicotine blue
ChEBI ID
CHEBI:65011
Definition
An extended quinone obtained by formal autoxidation of 2,3,6-trihydroxypyridine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C10H6N2O6
Net Charge
0
Average Mass
250.16440
Monoisotopic Mass
250.02259
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)
/b4-
3+
InChIKey
JUTQRXXDIORLET-ONEGZZNKSA-N
SMILES
OC1=C\C(\C(O)=NC1=O)=C1\C=C(O)C(=O)N=C\1O
Roles Classification
Biological Role
(s):
biological pigment
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
nicotine blue (
CHEBI:65011
)
has functional parent
2,3,6-trihydroxypyridine (
CHEBI:16683
)
nicotine blue (
CHEBI:65011
)
has role
biological pigment (
CHEBI:26130
)
nicotine blue (
CHEBI:65011
)
is a
extended quinone (
CHEBI:65013
)
nicotine blue (
CHEBI:65011
)
is conjugate acid of
nicotine blue(2−) (
CHEBI:64998
)
Incoming
nicotine blue(2−) (
CHEBI:64998
)
is conjugate base of
nicotine blue (
CHEBI:65011
)
IUPAC Names
(3
E
)-
5-
hydroxy-
3-
(5-
hydroxy-
2,6-
dioxo-
1,6-
dihydropyridin-
3(2
H
)-
ylidene)pyridine-
2,6(1
H
,3
H
)-
dione
(5
E
)-
5-
(2,5-
dihydroxy-
6-
oxopyridin-
3(6
H
)-
ylidene)-
3,6-
dihydroxypyridin-
2(5
H
)-
one
Synonym
Source
Diazodiphenoquinone
ChemIDplus
Manual Xref
Database
CPD-14081
MetaCyc
View more database links
Registry Numbers
Types
Sources
2435-60-1
CAS Registry Number
ChemIDplus
621303
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17293530
PubMed citation
Europe PMC
4707595
PubMed citation
Europe PMC
Last Modified
26 June 2012