17-octadecynoic acid

Ligand id: 8851

Name: 17-octadecynoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 15
Topological polar surface area 37.3
Molecular weight 280.24
XLogP 7.57
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
octadec-17-ynoic acid
Synonyms
17-ODYA
Database Links
CAS Registry No. 34450-18-5
ChEMBL Ligand CHEMBL182310
PubChem CID 1449
Search Google for chemical match using the InChIKey DZIILFGADWDKMF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DZIILFGADWDKMF
Search UniChem for chemical match using the InChIKey DZIILFGADWDKMF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DZIILFGADWDKMF
Comments
17-octadecynoic acid inhibits activity of the leukotriene B4 (LTB4) ω-hydroxylase (CYP4F2) [1].