2-arachidonoylglycerol   

GtoPdb Ligand ID: 729

Synonyms: 2-AG | 2-Ara-Gl | 2-arachidonyl-glycerol | 2AG
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 18
Topological polar surface area 66.76
Molecular weight 378.28
XLogP 7.29
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO
InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChI Key RCRCTBLIHCHWDZ-DOFZRALJSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
1,3-Dihydroxy-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate
Synonyms
2-AG | 2-Ara-Gl | 2-arachidonyl-glycerol | 2AG
Database Links
CAS Registry No. 53847-30-6
ChEBI CHEBI:52392
ChEMBL Ligand CHEMBL122972
GtoPdb PubChem SID 135651394
PubChem CID 5282280
RCSB PDB Ligand ECB
Search Google for chemical match using the InChIKey RCRCTBLIHCHWDZ-DOFZRALJSA-N
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Search UniChem for chemical match using the InChIKey RCRCTBLIHCHWDZ-DOFZRALJSA-N
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Wikipedia 2-Arachidonoylglycerol

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Tocris
2-Arachidonylglycerol
Cat. No. 1298