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CHEBI:166996 - solanidine(1+)

ChEBI IDCHEBI:166996
ChEBI Namesolanidine(1+)
Stars
DefinitionA tertiary ammonium ion resulting from the protonation of the tertiary amino group of solanidine. Major microspecies at pH 7.3.
Last Modified11 March 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H44NO
Net Charge+1
Average Mass398.655
Monoisotopic Mass398.34174
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])[NH+]3C[C@@H](C)CC[C@]3([H])[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/p+1/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
InChIKeyJVKYZPBMZPJNAJ-OQFNDJACSA-O
ChEBI Ontology
Outgoing Relation(s)
solanidine(1+) (CHEBI:166996) is a tertiary ammonium ion (CHEBI:137982)
solanidine(1+) (CHEBI:166996) is conjugate acid of solanidine (CHEBI:28374)
Incoming Relation(s)
solanidine (CHEBI:28374) is conjugate base of solanidine(1+) (CHEBI:166996)
IUPAC Name 
3β-hydroxysolanid-5-en-28-ium
Synonym  Source
solanidine cationChEBI
UniProt Name  Source
solanidineUniProt
Manual XrefsDatabases
CPD-9217MetaCyc
Citations