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CHEBI:143148 - (S)-codamine(1+)

ChEBI IDCHEBI:143148
ChEBI Name(S)-codamine(1+)
Stars
ASCII Name(S)-codamine(1+)
DefinitionAn ammonium ion derivative resulting from the protonation of the amino group of (S)-codamine. The major species at pH 7.3.
Last Modified11 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H26NO4
Net Charge+1
Average Mass344.431
Monoisotopic Mass344.18563
SMILESCOc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(OC)c1)[NH+](C)CC2
InChIInChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3/p+1/t16-/m0/s1
InChIKeyOKORHWXYDBSYNO-INIZCTEOSA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-codamine(1+) (CHEBI:143148) is a ammonium ion derivative (CHEBI:35274)
(S)-codamine(1+) (CHEBI:143148) is a organic cation (CHEBI:25697)
(S)-codamine(1+) (CHEBI:143148) is conjugate acid of (S)-codamine (CHEBI:145336)
Incoming Relation(s)
(S)-codamine (CHEBI:145336) is conjugate base of (S)-codamine(1+) (CHEBI:143148)
IUPAC Name 
(1S)-1-(3,4-dimethoxybenzyl)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium
UniProt Name  Source
(S)-codamineUniProt
Manual XrefsDatabases
CPD-22271MetaCyc
Citations