Molecule ID: 88553637

IUPAC Name: (7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)octadeca-7,10,13,16-tetraenoic acid

Description: The molecule is a epoxydocosatetraenoic acid obtained by formal epoxidation across the 19,20-double bond of (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid. It has a role as a human xenobiotic metabolite. It derives from a (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid. It is a conjugate acid of a (7Z,10Z,13Z,16Z)-19,20-epoxydocosatetraenoate.

SMILES: CCC1OC1C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O

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

InChI: InChI=1S/C22H34O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,14,16,20-21H,2,5-6,11-13,15,17-19H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,16-14-

Molecular Properties:
- Polar Surface Area: 49.8 Ų
- LogP: 5.9