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

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ChEBI Name (S)-codamine(1+)
ChEBI ID CHEBI:143148
ChEBI ASCII Name (S)-codamine(1+)
Definition An ammonium ion derivative resulting from the protonation of the amino group of (S)-codamine. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
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Formula C20H26NO4
Net Charge +1
Average Mass 344.430
Monoisotopic Mass 344.18563
InChI InChI=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
InChIKey OKORHWXYDBSYNO-INIZCTEOSA-O
SMILES [NH+]1([C@H](C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)OC)OC)C
ChEBI Ontology
Outgoing (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 (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
Synonym Source
(S)-codamine UniProt
Manual Xref Database
CPD-22271 MetaCyc
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Citation Waiting for Citations Type Source
22535422 PubMed citation SUBMITTER
Last Modified
11 November 2019