CHEBI:28220 - 2,6-dihydroxypseudooxynicotine

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ChEBI Name 2,6-dihydroxypseudooxynicotine ChEBI ID CHEBI:28220 Definition A dihydroxypyridine that is pseudooxynicotine in which the hydrogens at positions 2 and 6 on the pyridine ring are substituted by hydroxy groups. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:19401 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 C10H14N2O3 Net Charge 0 Average Mass 210.22984 Monoisotopic Mass 210.10044 InChI InChI=1S/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15) InChIKey JJJLAXLRPLCXNT-UHFFFAOYSA-N SMILES CNCCCC(=O)c1ccc(O)nc1O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2,6-dihydroxypseudooxynicotine (CHEBI:28220) has functional parent pseudooxynicotine (CHEBI:37753) 2,6-dihydroxypseudooxynicotine (CHEBI:28220) is a aromatic ketone (CHEBI:76224) 2,6-dihydroxypseudooxynicotine (CHEBI:28220) is a dihydroxypyridine (CHEBI:23793) 2,6-dihydroxypseudooxynicotine (CHEBI:28220) is a secondary amino compound (CHEBI:50995) 2,6-dihydroxypseudooxynicotine (CHEBI:28220) is conjugate base of 2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944) Incoming 2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944) is conjugate acid of 2,6-dihydroxypseudooxynicotine (CHEBI:28220) IUPAC Name 1-(2,6-dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one Manual Xrefs Databases c0469 UM-BBD C15986 KEGG COMPOUND CPD-113 MetaCyc View more database links Registry Number Type Source 394128 Reaxys Registry Number Reaxys Last Modified 07 November 2013