CHEBI:37754 - 6-hydroxypseudooxynicotine

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ChEBI Name 6-hydroxypseudooxynicotine
ChEBI ID CHEBI:37754
Definition The 6-hydroxy derivative of pseudooxynicotine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18973, CHEBI:578, CHEBI:11198, CHEBI:20733
Supplier Information ZINC000008576216
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Formula C10H14N2O2
Net Charge 0
Average Mass 194.23044
Monoisotopic Mass 194.10553
InChI InChI=1S/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)
InChIKey UMLOUOBDBGOHHR-UHFFFAOYSA-N
SMILES CNCCCC(=O)c1ccc(O)nc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 6-hydroxypseudooxynicotine (CHEBI:37754) has functional parent pseudooxynicotine (CHEBI:37753)
6-hydroxypseudooxynicotine (CHEBI:37754) is a aromatic ketone (CHEBI:76224)
6-hydroxypseudooxynicotine (CHEBI:37754) is a monohydroxypyridine (CHEBI:38182)
6-hydroxypseudooxynicotine (CHEBI:37754) is a secondary amino compound (CHEBI:50995)
6-hydroxypseudooxynicotine (CHEBI:37754) is conjugate base of 6-hydroxypseudooxynicotinium(1+) (CHEBI:58682)
Incoming 6-hydroxypseudooxynicotinium(1+) (CHEBI:58682) is conjugate acid of 6-hydroxypseudooxynicotine (CHEBI:37754)
IUPAC Name
1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one
Synonyms Sources
1-(6-Hydroxypyrid-3-yl)-4-(methylamino)butan-1-one KEGG COMPOUND
1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one KEGG COMPOUND
Manual Xrefs Databases
C01297 KEGG COMPOUND
c0472 UM-BBD
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Registry Number Type Source
7424-35-3 CAS Registry Number UM-BBD
Last Modified
28 July 2014