Molecule ID: 124202380

IUPAC Name: (8Z,10E,14E,16Z,19Z)-7,12,13-trihydroxydocosa-8,10,14,16,19-pentaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of resolvin T2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy fatty acid anion and a docosanoid anion. It is a conjugate base of a resolvin T2.

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

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

InChI: InChI=1S/C22H34O5/c1-2-3-4-5-6-7-10-16-20(24)21(25)17-13-12-15-19(23)14-9-8-11-18-22(26)27/h3-4,6-7,10,12-13,15-17,19-21,23-25H,2,5,8-9,11,14,18H2,1H3,(H,26,27)/p-1/b4-3-,7-6-,15-12-,16-10+,17-13+

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 3.9