CHEBI:57993 - (S)-N-methylcoclaurinium(1+)

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ChEBI Name (S)-N-methylcoclaurinium(1+) ChEBI ID CHEBI:57993 ChEBI ASCII Name (S)-N-methylcoclaurinium(1+) Definition The conjugate acid of (S)-N-methylcoclaurine; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H22NO3 Net Charge +1 Average Mass 300.37220 Monoisotopic Mass 300.15942 InChI InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/p+1/t16-/m0/s1 InChIKey BOKVLBSSPUTWLV-INIZCTEOSA-O SMILES COc1cc2CC[NH+](C)[C@@H](Cc3ccc(O)cc3)c2cc1O ChEBI Ontology Outgoing (S)-N-methylcoclaurinium(1+) (CHEBI:57993) is a ammonium ion derivative (CHEBI:35274) (S)-N-methylcoclaurinium(1+) (CHEBI:57993) is a organic cation (CHEBI:25697) (S)-N-methylcoclaurinium(1+) (CHEBI:57993) is conjugate acid of (S)-N-methylcoclaurine (CHEBI:17041) Incoming (S)-N-methylcoclaurine (CHEBI:17041) is conjugate base of (S)-N-methylcoclaurinium(1+) (CHEBI:57993) IUPAC Name (1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium Synonyms Sources (S)-N-methylcoclaurine UniProt (S)-N-methylcoclaurinium cation ChEBI Last Modified 11 July 2014