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CHEBI:77617 - senecionine(1+)

ChEBI IDCHEBI:77617
ChEBI Namesenecionine(1+)
Stars
DefinitionAn organic cation obtained by protonation of the tertiary amino group of senecionine; major structure at pH 7.3.
Last Modified17 April 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H26NO5
Net Charge+1
Average Mass336.408
Monoisotopic Mass336.18055
SMILES[H]/C(C)=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[NH+]3CC[C@@]([H])(OC1=O)[C@@]23[H]
InChIInChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/p+1/b12-4-/t11-,14-,15-,18-/m1/s1
InChIKeyHKODIGSRFALUTA-JTLQZVBZSA-O
ChEBI Ontology
Outgoing Relation(s)
senecionine(1+) (CHEBI:77617) is a ammonium ion derivative (CHEBI:35274)
senecionine(1+) (CHEBI:77617) is a organic cation (CHEBI:25697)
senecionine(1+) (CHEBI:77617) is conjugate acid of senecionine (CHEBI:9107)
Incoming Relation(s)
senecionine (CHEBI:9107) is conjugate base of senecionine(1+) (CHEBI:77617)
IUPAC Name 
12-hydroxy-11,16-dioxosenecionan-4-ium
Synonym  Source
senecionine cationChEBI
UniProt Name  Source
senecionineUniProt