Molecule ID: 132472333

IUPAC Name: (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17,22-trihydroxydocosa-4,7,11,13,15,19-hexaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of 22-hydroxyprotectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, a docosanoid anion and a hydroxy polyunsaturated fatty acid anion. It is a conjugate base of a 22-hydroxyprotectin D1.

SMILES: O=C([O-])CC/C=C\C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)C/C=C\CCO

SELFIES: [O][=C][Branch1][C][O-1][C][C][/C][=C][\C][/C][=C][\C][C@@H1][Branch1][C][O][/C][=C][/C][=C][/C][=C][\C@@H1][Branch1][C][O][C][/C][=C][\C][C][O]

InChI: InChI=1S/C22H32O5/c23-19-13-7-11-17-21(25)16-10-6-5-9-15-20(24)14-8-3-1-2-4-12-18-22(26)27/h2-11,15-16,20-21,23-25H,1,12-14,17-19H2,(H,26,27)/p-1/b4-2-,6-5+,8-3-,11-7-,15-9+,16-10-/t20-,21-/m1/s1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 3.4