CHEBI:57581 - (S)-coclaurinium

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ChEBI Name (S)-coclaurinium
ChEBI ID CHEBI:57581
ChEBI ASCII Name (S)-coclaurinium
Definition Conjugate acid of (S)-coclaurine arising from protonation of the isoquinoline nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H20NO3
Net Charge +1
Average Mass 286.34560
Monoisotopic Mass 286.14377
InChI InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/p+1/t15-/m0/s1
InChIKey LVVKXRQZSRUVPY-HNNXBMFYSA-O
SMILES COc1cc2CC[NH2+][C@@H](Cc3ccc(O)cc3)c2cc1O
ChEBI Ontology
Outgoing (S)-coclaurinium (CHEBI:57581) is a ammonium ion (CHEBI:35274)
(S)-coclaurinium (CHEBI:57581) is conjugate acid of (S)-coclaurine (CHEBI:15950)
Incoming (S)-coclaurine (CHEBI:15950) is conjugate base of (S)-coclaurinium (CHEBI:57581)
IUPAC Name
(1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium
Synonyms Sources
(S)-coclaurine UniProt
(S)-coclaurinium cation ChEBI
Last Modified
11 January 2012