Molecule ID: 102571777

IUPAC Name: (6E,8Z,11Z,13E)-5-hydroperoxy-15-hydroxyicosa-6,8,11,13-tetraenoic acid

Description: The molecule is an icosanoid that is (6E,8Z,11Z,13E)-icosa-6,8,11,13-tetraenoic acid substituted at positions 5 and 15 by hydroperoxy and hydroxy groups respectively. It has a role as a human metabolite. It is an icosanoid, a hydroperoxy fatty acid, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a 5-hydroperoxy-15-HETE(1-).

SMILES: CCCCCC(O)/C=C/C=C\C/C=C\C=C\C(CCCC(=O)O)OO

SELFIES: [C][C][C][C][C][C][Branch1][C][O][/C][=C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][O][O]

InChI: InChI=1S/C20H32O5/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(25-24)16-12-17-20(22)23/h5-8,10-11,14-15,18-19,21,24H,2-4,9,12-13,16-17H2,1H3,(H,22,23)/b7-5-,8-6-,14-10+,15-11+

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 4.1