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CHEBI:194530 - (S)-1-hydroxy-cis-N-methylcanadine

ChEBI IDCHEBI:194530
ChEBI Name(S)-1-hydroxy-cis-N-methylcanadine
Stars
ASCII Name(S)-1-hydroxy-cis-N-methylcanadine
DefinitionA quaternary ammonium ion that is (S)-cis-N-methylcanadine in which the hydrogen at position 14 is substituted by a hydroxy group.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H24NO5
Net Charge+1
Average Mass370.425
Monoisotopic Mass370.16490
SMILES[H][C@@]12Cc3ccc(OC)c(OC)c3C[N@+]1(C)CCc1cc3c(c(O)c12)OCO3
InChIInChI=1S/C21H23NO5/c1-22-7-6-13-9-17-21(27-11-26-17)19(23)18(13)15(22)8-12-4-5-16(24-2)20(25-3)14(12)10-22/h4-5,9,15H,6-8,10-11H2,1-3H3/p+1/t15-,22-/m0/s1
InChIKeyFJOUYKHTSXWRMH-NYHFZMIOSA-O
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(S)-1-hydroxy-cis-N-methylcanadine (CHEBI:194530) is a (S)-1-hydroxy-N-methylcanadine (CHEBI:141633)
UniProt Name  Source
(S)-1-hydroxy-cis-N-methylcanadineUniProt