Molecule ID: 122391353

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

Description: The molecule is a hydroxydocosapentaenoic acid that is (4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acid in which the hydroxy group is located at position 20. It has a role as a human xenobiotic metabolite. It derives from a (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid. It is a conjugate acid of a (4Z,7Z,10Z,13Z,16Z)-20-hydroxydocosapentaenoate.

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]

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)/b4-3-,9-7-,10-8-,15-13-,16-14-

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.3