Molecule ID: 24778498

IUPAC Name: (5Z,8Z,11Z)-N-(2-hydroxyethyl)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide

Description: The molecule is an N-(polyunsaturated fatty acyl)ethanolamine obtained by formal epoxidation across the 14,15-double bond of anandamide. It has a role as a human xenobiotic metabolite. It is a N-(long-chain-acyl)ethanolamine, a N-(polyunsaturated fatty acyl)ethanolamine, an endocannabinoid and an epoxide. It derives from an anandamide and a 14,15-EET.

SMILES: CCCCCC1OC1C/C=C\C/C=C\C/C=C\CCCC(O)=NCCO

SELFIES: [C][C][C][C][C][C][O][C][Ring1][Ring1][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][Branch1][C][O][=N][C][C][O]

InChI: InChI=1S/C22H37NO3/c1-2-3-12-15-20-21(26-20)16-13-10-8-6-4-5-7-9-11-14-17-22(25)23-18-19-24/h4,6-7,9-10,13,20-21,24H,2-3,5,8,11-12,14-19H2,1H3,(H,23,25)/b6-4-,9-7-,13-10-

Molecular Properties:
- Polar Surface Area: 61.9 Ų
- LogP: 4.4