CHEBI:77617 - senecionine(1+)

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ChEBI Name senecionine(1+)
ChEBI ID CHEBI:77617
Definition An organic cation obtained by protonation of the tertiary amino group of senecionine; major structure at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C18H26NO5
Net Charge +1
Average Mass 336.40220
Monoisotopic Mass 336.18055
InChI InChI=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
InChIKey HKODIGSRFALUTA-JTLQZVBZSA-O
SMILES C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[NH+]3CC[C@@H](OC1=O)[C@@H]23
ChEBI Ontology
Outgoing senecionine(1+) (CHEBI:77617) is a ammonium ion (CHEBI:35274)
senecionine(1+) (CHEBI:77617) is a organic cation (CHEBI:25697)
senecionine(1+) (CHEBI:77617) is conjugate acid of senecionine (CHEBI:9107)
Incoming senecionine (CHEBI:9107) is conjugate base of senecionine(1+) (CHEBI:77617)
IUPAC Name
12-hydroxy-11,16-dioxosenecionan-4-ium
Synonyms Sources
senecionine UniProt
senecionine cation ChEBI
Last Modified
17 April 2014