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CHEBI:57873 - (S)-reticulinium(1+)

ChEBI IDCHEBI:57873
ChEBI Name(S)-reticulinium(1+)
Stars
ASCII Name(S)-reticulinium(1+)
DefinitionAn ammonium ion that is the conjugate acid of (S)-reticuline, arising from protonation of the tertiary amino group; major species at pH 7.3.
Last Modified17 October 2013
DownloadsMolfile
FormulaC19H24NO4
Net Charge+1
Average Mass330.404
Monoisotopic Mass330.16998
SMILESCOc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[NH+]2C)cc1O
InChIInChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/p+1/t15-/m0/s1
InChIKeyBHLYRWXGMIUIHG-HNNXBMFYSA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-reticulinium(1+) (CHEBI:57873) is a ammonium ion derivative (CHEBI:35274)
(S)-reticulinium(1+) (CHEBI:57873) is a reticuline(1+) (CHEBI:194518)
(S)-reticulinium(1+) (CHEBI:57873) is conjugate acid of (S)-reticuline (CHEBI:16718)
Incoming Relation(s)
(S)-reticuline (CHEBI:16718) is conjugate base of (S)-reticulinium(1+) (CHEBI:57873)
IUPAC Name 
(1S)-7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium
Synonym  Source
(S)-reticulinium cationChEBI
UniProt Name  Source
(S)-reticulineUniProt