N-homo-γ-linolenoylethanolamine   Click here for help

GtoPdb Ligand ID: 5444

Synonyms: N-dihomo-γ -linolenoylethanolamine
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 18
Topological polar surface area 49.33
Molecular weight 349.3
XLogP 7.76
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCCCCCCC(=O)NCCO
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCO
InChI InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-
InChI Key ULQWKETUACYZLI-QNEBEIHSSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trienamide
Synonyms Click here for help
N-dihomo-γ -linolenoylethanolamine
Database Links Click here for help
CAS Registry No. 150314-34-4
ChEMBL Ligand CHEMBL121229
GtoPdb PubChem SID 178102095
PubChem CID 5282272
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