domoic acid

Ligand id: 4181

Name: domoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 123.93
Molecular weight 311.14
XLogP -0
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Synonyms
domoate
NSC 288031
Database Links
CAS Registry No. 14277-97-5 (source: Scifinder)
ChEBI CHEBI:34727
ChEMBL Ligand CHEMBL1232313
DrugBank Ligand DB02852
PubChem CID 5282253
RCSB PDB Ligand DOQ
Search Google for chemical match using the InChIKey VZFRNCSOCOPNDB-AOKDLOFSSA-N
Search Google for chemicals with the same backbone VZFRNCSOCOPNDB
Wikipedia Domoate