9-hydroxyoctadecadienoic acid

Ligand id: 5567

Name: 9-hydroxyoctadecadienoic acid

Abbreviated name: 9-HODE

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 57.53
Molecular weight 296.24
XLogP 5.93
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
Synonyms
9(S)-HODE | 9(S)-hydroxyoctadecadienoic acid
Database Links
CAS Registry No. 73543-67-6 (source: Scifinder)
ChEBI CHEBI:34496
ChEMBL Ligand CHEMBL1230670
PubChem CID 5312830
RCSB PDB Ligand 9HO
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