17-octadecynoic acid   Click here for help

GtoPdb Ligand ID: 8851

Synonyms: 17-ODYA
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 17-octadecynoic acid inhibits activity of the leukotriene B4 (LTB4) ω-hydroxylase (CYP4F2) [1].
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES C#CCCCCCCCCCCCCCCCC(=O)O
Isomeric SMILES C#CCCCCCCCCCCCCCCCC(=O)O
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)
InChI Key DZIILFGADWDKMF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
octadec-17-ynoic acid
Synonyms Click here for help
17-ODYA
Database Links Click here for help
CAS Registry No. 34450-18-5
ChEMBL Ligand CHEMBL182310
GtoPdb PubChem SID 252827508
PubChem CID 1449
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Tocris
17-ODYA
Cat. No. 0607