12S-HPETE

Ligand id: 2481

Name: 12S-HPETE

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 15
Topological polar surface area 66.76
Molecular weight 336.23
XLogP 6.27
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-hydroperoxyicosa-5,8,10,14-tetraenoic acid
Synonyms
12-(S)-HPETE | 12-(S)-hydroperoxyeicosatetraenoic acid
Database Links
CAS Registry No. 71774-10-2 (source: Scifinder)
ChEBI CHEBI:15626
ChEMBL Ligand CHEMBL1447811
PubChem CID 5280892
Search Google for chemical match using the InChIKey ZIOZYRSDNLNNNJ-LQWMCKPYSA-N
Search Google for chemicals with the same backbone ZIOZYRSDNLNNNJ
Search UniChem for chemical match using the InChIKey ZIOZYRSDNLNNNJ-LQWMCKPYSA-N
Search UniChem for chemicals with the same backbone ZIOZYRSDNLNNNJ