Molecule ID: 122391352

IUPAC Name: (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosa-4,7,10,13,16-pentaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It derives from a (4Z,7Z,10Z,13Z,16Z)-docosapentaenoate. It is a conjugate base of a (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosapentaenoic acid.

SMILES: CCC(O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]

SELFIES: [C][C][C][Branch1][C][O][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][=Branch1][C][=O][O-1]

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

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 6.0