CHEBI:65011 - nicotine blue

ChEBI IDCHEBI:65011
ChEBI Namenicotine blue
Stars
DefinitionAn extended quinone obtained by formal autoxidation of 2,3,6-trihydroxypyridine.
Last Modified26 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC10H6N2O6
Net Charge0
Average Mass250.166
Monoisotopic Mass250.02259
SMILESO=C1N=C(O)/C(=C2\C=C(O)C(=O)N=C2O)C=C1O
InChIInChI=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+
InChIKeyJUTQRXXDIORLET-ONEGZZNKSA-N
Roles Classification
Biological Role:
biological pigment  An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
DiazodiphenoquinoneChemIDplus
Manual XrefsDatabases
CPD-14081MetaCyc
Registry NumbersSources
Reaxys:621303Reaxys
CAS:2435-60-1ChemIDplus
Citations