Molecule ID: 16061129

IUPAC Name: (5Z,7E,11Z,14Z,17Z)-9-hydroxyicosa-5,7,11,14,17-pentaenoic acid

Description: The molecule is a HEPE that is (5Z,7E,11Z,14Z,17Z)-icosapentaenoic acid carrying a hydroxy substituent at position 9. It has a role as a marine metabolite. It is a conjugate acid of a 9-HEPE(1-).

SMILES: CC/C=C\C/C=C\C/C=C\CC(O)/C=C/C=C\CCCC(=O)O

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

InChI: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,17,19,21H,2,5,8,12,15-16,18H2,1H3,(H,22,23)/b4-3-,7-6-,11-9-,13-10-,17-14+

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 4.5