12S-HETE

Ligand id: 3404

Name: 12S-HETE

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 320.24
XLogP 6.22
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid
Synonyms
12(S)-hydroxyeicosatetraenoic acid
Database Links
CAS Registry No. 54397-83-0
ChEBI CHEBI:34146
ChEMBL Ligand CHEMBL1526258
PubChem CID 5283155
Search Google for chemical match using the InChIKey ZNHVWPKMFKADKW-LQWMCKPYSA-N
Search Google for chemicals with the same backbone ZNHVWPKMFKADKW
Search UniChem for chemical match using the InChIKey ZNHVWPKMFKADKW-LQWMCKPYSA-N
Search UniChem for chemicals with the same backbone ZNHVWPKMFKADKW
Wikipedia 12-Hydroxyeicosatetraenoic acid