Molecule ID: 124202383

IUPAC Name: (9E,11E,14E,16Z,19Z)-7,8,13-trihydroxydocosa-9,11,14,16,19-pentaenoic acid

Description: The molecule is a docosanoid that is (9E,11E,14E,16Z,19Z)-docosapentaenoic acid carrying three hydroxy substituents at positions 7, 8 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 T3(1-).

SMILES: CC/C=C\C/C=C\C=C\C(O)/C=C/C=C/C(O)C(O)CCCCCC(=O)O

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

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

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 3.4