Molecule ID: 16061183

IUPAC Name: (5Z,8Z)-N-(2-hydroxyethyl)-10-[3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienamide

Description: The molecule is an N-(polyunsaturated fatty acyl)ethanolamine obtained by formal epoxidation across the 11,12-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 an 11,12-EET.

SMILES: CCCCC/C=C\CC1OC1C/C=C\C/C=C\CCCC(O)=NCCO

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

InChI: InChI=1S/C22H37NO3/c1-2-3-4-5-9-12-15-20-21(26-20)16-13-10-7-6-8-11-14-17-22(25)23-18-19-24/h6,8-10,12-13,20-21,24H,2-5,7,11,14-19H2,1H3,(H,23,25)/b8-6-,12-9-,13-10-

Molecular Properties:
- Polar Surface Area: 61.9 Ų
- LogP: 4.5