CHEBI:231628 - (RS)-isococlaurinium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (RS)-isococlaurinium
ChEBI ID CHEBI:231628
ChEBI ASCII Name (RS)-isococlaurinium
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C17H20NO3
Net Charge +1
Average Mass 286.350
Monoisotopic Mass 286.14377
InChI InChI=1S/C17H19NO3/c1-21-17-10-14-12(9-16(17)20)6-7-18-15(14)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/p+1
InChIKey HDQFMSLXNCGZDJ-UHFFFAOYSA-O
SMILES [NH2+]1C(C2=C(CC1)C=C(C(=C2)OC)O)CC3=CC=C(C=C3)O
ChEBI Ontology
Outgoing (RS)-isococlaurinium (CHEBI:231628) is a ammonium ion derivative (CHEBI:35274)
Synonym Source
isococlaurine UniProt
Citation Waiting for Citations Type Source
20061395 PubMed citation SUBMITTER