Molecule ID: 124202379

IUPAC Name: (8E,10Z,14E,16Z,18E)-7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid

Description: The molecule is a docosanoid that is (8E,10Z,14E,16Z,18E)-docosapentaenoic acid carrying three hydroxy substituents at positions 7, 13 and 20. 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 T1(1-).

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

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

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

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 3.3