α-linolenic acid

Ligand id: 1049

Name: α-linolenic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 37.3
Molecular weight 278.22
XLogP 7.54
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
Synonyms
α-LA
C18:3
linolenate
Database Links
BindingDB Ligand 50240347
CAS Registry No. 463-40-1 (source: DrugBank)
ChEBI CHEBI:27432
ChEMBL Ligand CHEMBL8739
DrugBank Ligand DB00132
PharmGKB Drug PA449384
PubChem CID 5280934
RCSB PDB Ligand LNL
Search Google for chemical match using the InChIKey DTOSIQBPPRVQHS-PDBXOOCHSA-N
Search Google for chemicals with the same backbone DTOSIQBPPRVQHS
Wikipedia Alpha-Linolenic acid