O-arachidonoyl ethanolamine   Click here for help

GtoPdb Ligand ID: 5554

Synonyms: O-arachidonoylethanolamine | virodhamine [1]
Comment: O-arachidonoyl ethanolamine is an eicosanoid group endocannabinoid.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 17
Topological polar surface area 52.32
Molecular weight 347.28
XLogP 7.89
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCN
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCN
InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChI Key DLHLOYYQQGSXCC-DOFZRALJSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
2-aminoethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Synonyms Click here for help
O-arachidonoylethanolamine | virodhamine [1]
Database Links Click here for help
CAS Registry No. 287937-12-6 (source: Scifinder)
ChEMBL Ligand CHEMBL187349
GtoPdb PubChem SID 178102195
PubChem CID 5712057
Search Google for chemical match using the InChIKey DLHLOYYQQGSXCC-DOFZRALJSA-N
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Search UniChem for chemical match using the InChIKey DLHLOYYQQGSXCC-DOFZRALJSA-N
Search UniChem for chemicals with the same backbone DLHLOYYQQGSXCC
Wikipedia Virodhamine