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

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

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ChEBI ID	CHEBI:58010
ChEBI Name	(S)-3'-hydroxy-N-methylcoclaurinium(1+)
Stars
ASCII Name	(S)-3'-hydroxy-N-methylcoclaurinium(1+)
Definition	The conjugate acid of (S)-3'-hydroxy-N-methylcoclaurine; major species at pH 7.3.
Last Modified	11 July 2014
Downloads	Molfile

Formula	C18H22NO4
Net Charge	+1
Average Mass	316.377
Monoisotopic Mass	316.15433
SMILES	COc1cc2c(cc1O)[C@H](Cc1ccc(O)c(O)c1)[NH+](C)CC2
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

ChEBI Ontology

Outgoing Relation(s)
	(S)-3'-hydroxy-N-methylcoclaurinium(1+) (CHEBI:58010) is a ammonium ion derivative (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 Relation(s)
	(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	Source
(S)-3'-hydroxy-N-methylcoclaurinium	ChEBI
(S)-3'-hydroxy-N-methylcoclaurinium cation	ChEBI

UniProt Name	Source
(S)-3'-hydroxy-N-methylcoclaurine	UniProt