Ligand Id: 1049
Ligand name α-linolenic acid

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

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: DrugBank)
DrugBank groups approved; nutraceutical
IUPAC Name
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
Synonyms
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
α-LA
linolenate
Database Links
BindingDB Ligand 50240347
CAS Registry No. 463-40-1 (source: DrugBank)
ChEBI CHEBI:27432
ChEMBL Ligand 104370
DrugBank Ligand DB00132
PharmGKB Drug PA449384
PubChem CID 5280934
RCSB PDB Ligand LNL
Search on ChemSpider DTOSIQBPPRVQHS-PDBXOOCHSA-N
ZINC ZINC03802189
iPHACE ZLVPM95P

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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