CHEBI:57581 - (S)-coclaurinium

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 derivative (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