N-docosatetra-7,10,13,16-enoylethanolamine   Click here for help

GtoPdb Ligand ID: 5445

Synonyms: N-docosatetraenoylethanolamine
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 19
Topological polar surface area 49.33
Molecular weight 375.31
XLogP 8.57
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)NCCO
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCO
InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
InChI Key FMVHVRYFQIXOAF-DOFZRALJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
Synonyms Click here for help
N-docosatetraenoylethanolamine
Database Links Click here for help
CAS Registry No. 150314-35-5 (source: Scifinder)
ChEMBL Ligand CHEMBL321585
GtoPdb PubChem SID 178102096
PubChem CID 5282273
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Wikipedia Docosatetraenoylethanolamide

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Cat. No. 1485