CHEBI:65011 - nicotine blue

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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.
Supplier Information
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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.
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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
(3E)-5-hydroxy-3-(5-hydroxy-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)pyridine-2,6(1H,3H)-dione
(5E)-5-(2,5-dihydroxy-6-oxopyridin-3(6H)-ylidene)-3,6-dihydroxypyridin-2(5H)-one
Synonym Source
Diazodiphenoquinone ChemIDplus
Manual Xref Database
CPD-14081 MetaCyc
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Registry Numbers Types Sources
2435-60-1 CAS Registry Number ChemIDplus
621303 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17293530 PubMed citation Europe PMC
4707595 PubMed citation Europe PMC
Last Modified
26 June 2012