N-palmitoylethanolamine   

GtoPdb Ligand ID: 3622

Abbreviated name: PEA
Synonyms: palmitamide MEA | palmitoyl-EA
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 49.33
Molecular weight 299.28
XLogP 6.65
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCCCCCCCCCC(=O)NCCO
Isomeric SMILES CCCCCCCCCCCCCCCC(=O)NCCO
InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
InChI Key HXYVTAGFYLMHSO-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
N-(2-Hydroxyethyl)hexadecanamide
International Nonproprietary Names
INN number INN
871 palmidrol
Synonyms
palmitamide MEA | palmitoyl-EA
Database Links
CAS Registry No. 544-31-0 (source: Scifinder)
ChEBI CHEBI:71464
ChEMBL Ligand CHEMBL417675
DrugCentral Ligand 2045
GtoPdb PubChem SID 178100539
PubChem CID 4671
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Search UniChem for chemical match using the InChIKey HXYVTAGFYLMHSO-UHFFFAOYSA-N
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Wikipedia N-palmitoylethanolamine

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Tocris
Palmitoylethanolamide
Cat. No. 0879