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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 (5E)-6-hydroxy-5-(2-hydroxy-5-oxido-6-oxopyridin-3(6H)-ylidene)-2-oxo-2,5-dihydropyridin-3-olate Synonyms Sources (E)-2,2',5,5'-tetrahydroxy-6H,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