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CHEBI:195218 - (S)-laudanosine(1+)

ChEBI IDCHEBI:195218
ChEBI Name(S)-laudanosine(1+)
Stars
ASCII Name(S)-laudanosine(1+)
DefinitionAn organic cation that is the conjugate acid of (S)-laudanosine, obtained by protonation of the tertiary amino group; major species at pH 7.3.
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC21H28NO4
Net Charge+1
Average Mass358.458
Monoisotopic Mass358.20128
SMILESCOc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1OC
InChIInChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/p+1/t17-/m0/s1
InChIKeyKGPAYJZAMGEDIQ-KRWDZBQOSA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-laudanosine(1+) (CHEBI:195218) is a ammonium ion derivative (CHEBI:35274)
(S)-laudanosine(1+) (CHEBI:195218) is a organic cation (CHEBI:25697)
(S)-laudanosine(1+) (CHEBI:195218) is conjugate acid of Laudanosine (CHEBI:6389)
Incoming Relation(s)
Laudanosine (CHEBI:6389) is conjugate base of (S)-laudanosine(1+) (CHEBI:195218)
Synonym  Source
(S)-laudanosine cationSUBMITTER
UniProt Name  Source
(S)-N-methyltetrahydropapaverineUniProt
Citations