2-arachidonyl glyceryl ether   

GtoPdb Ligand ID: 5545

Synonyms: 2-AG ether | 2-arachidonylglyceryl ether | HU 310 | Noladin ether
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 18
Topological polar surface area 49.69
Molecular weight 364.3
XLogP 7.6
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO
InChI InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChI Key CUJUUWXZAQHCNC-DOFZRALJSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]propane-1,3-diol
Synonyms
2-AG ether | 2-arachidonylglyceryl ether | HU 310 | Noladin ether
Database Links
CAS Registry No. 222723-55-9 (source: Scifinder)
ChEMBL Ligand CHEMBL146346
GtoPdb PubChem SID 178102187
PubChem CID 6483057
Search Google for chemical match using the InChIKey CUJUUWXZAQHCNC-DOFZRALJSA-N
Search Google for chemicals with the same backbone CUJUUWXZAQHCNC
Search UniChem for chemical match using the InChIKey CUJUUWXZAQHCNC-DOFZRALJSA-N
Search UniChem for chemicals with the same backbone CUJUUWXZAQHCNC
Wikipedia 2-arachidonyl_glyceryl_ether

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Tocris
Noladin ether
Cat. No. 1411