Molecule ID: 124202381

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

Description: The molecule is a docosanoid that is (8Z,10E,14E,16Z,19Z)-docosapentaenoic acid carrying three hydroxy substituents at positions 7, 12 and 13. It has a role as an anti-inflammatory agent, a human xenobiotic metabolite and a mouse metabolite. It is a docosanoid, a resolvin and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a resolvin T2(1-).

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]

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)/b4-3-,7-6-,15-12-,16-10+,17-13+

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 3.2