CHEBI:58010 - (S)-3'-hydroxy-N-methylcoclaurinium(1+)

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ChEBI Name (S)-3'-hydroxy-N-methylcoclaurinium(1+)
ChEBI ID CHEBI:58010
ChEBI ASCII Name (S)-3'-hydroxy-N-methylcoclaurinium(1+)
Definition The conjugate acid of (S)-3'-hydroxy-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
Formula C18H22NO4
Net Charge +1
Average Mass 316.37160
Monoisotopic Mass 316.15433
InChI InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/p+1/t14-/m0/s1
InChIKey DAUPWJBRVZCBQB-AWEZNQCLSA-O
SMILES COc1cc2CC[NH+](C)[C@@H](Cc3ccc(O)c(O)c3)c2cc1O
ChEBI Ontology
Outgoing (S)-3'-hydroxy-N-methylcoclaurinium(1+) (CHEBI:58010) is a ammonium ion (CHEBI:35274)
(S)-3'-hydroxy-N-methylcoclaurinium(1+) (CHEBI:58010) is a organic cation (CHEBI:25697)
(S)-3'-hydroxy-N-methylcoclaurinium(1+) (CHEBI:58010) is conjugate acid of (S)-3'-hydroxy-N-methylcoclaurine (CHEBI:17079)
Incoming (S)-3'-hydroxy-N-methylcoclaurine (CHEBI:17079) is conjugate base of (S)-3'-hydroxy-N-methylcoclaurinium(1+) (CHEBI:58010)
IUPAC Name
(1S)-1-(3,4-dihydroxybenzyl)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium
Synonyms Sources
(S)-3'-hydroxy-N-methylcoclaurine UniProt
(S)-3'-hydroxy-N-methylcoclaurinium ChEBI
(S)-3'-hydroxy-N-methylcoclaurinium cation ChEBI
Last Modified
11 July 2014