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CHEBI:37754 - 6-hydroxypseudooxynicotine

ChEBI IDCHEBI:37754
ChEBI Name6-hydroxypseudooxynicotine
Stars
DefinitionThe 6-hydroxy derivative of pseudooxynicotine.
Secondary ChEBI IDsCHEBI:578, CHEBI:11198, CHEBI:18973, CHEBI:20733
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H14N2O2
Net Charge0
Average Mass194.234
Monoisotopic Mass194.10553
SMILESCNCCCC(=O)c1ccc(O)nc1
InChIInChI=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)
InChIKeyUMLOUOBDBGOHHR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
1-(6-Hydroxypyrid-3-yl)-4-(methylamino)butan-1-oneKEGG COMPOUND
1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-oneKEGG COMPOUND
Manual XrefsDatabases
C01297KEGG COMPOUND
c0472UM-BBD
Registry NumbersSources
CAS:7424-35-3UM-BBD