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CHEBI:194556 - perivine(1+)

ChEBI IDCHEBI:194556
ChEBI Nameperivine(1+)
Stars
DefinitionA secondary ammonium ion that is the conjugate acid of perivine obtained by protonation of the secondary amino group; major species at pH 7.3.
Last Modified14 April 2023
SubmitterAnne Morgat
DownloadsMolfile
FormulaC20H23N2O3
Net Charge+1
Average Mass339.415
Monoisotopic Mass339.17032
SMILES[H]/C(C)=C1\C[NH2+][C@@]2([H])Cc3c(nc4ccccc34)C(=O)C[C@]1([H])[C@]2([H])C(=O)OC
InChIInChI=1S/C20H22N2O3/c1-3-11-10-21-16-8-14-12-6-4-5-7-15(12)22-19(14)17(23)9-13(11)18(16)20(24)25-2/h3-7,13,16,18,21-22H,8-10H2,1-2H3/p+1/b11-3-/t13-,16-,18-/m0/s1
InChIKeyNKTORRNHKYVXSU-XXMLWKDOSA-O
ChEBI Ontology
Outgoing Relation(s)
perivine(1+) (CHEBI:194556) is a secondary ammonium ion (CHEBI:137419)
perivine(1+) (CHEBI:194556) is conjugate acid of perivine (CHEBI:141937)
Incoming Relation(s)
perivine (CHEBI:141937) is conjugate base of perivine(1+) (CHEBI:194556)
IUPAC Name 
(2S,5E,6R,14S)-5-ethylidene-14-(methoxycarbonyl)-8-oxo-2,3,4,5,6,7,8,9-octahydro-1H-2,6-methanoazecino[5,4-b]indol-3-ium
Synonym  Source
perivine cationChEBI
UniProt Name  Source
perivineUniProt
Citations