Molecule ID: 11110480

IUPAC Name: (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoic acid

Description: The molecule is a hydroxy polyunsaturated fatty acid that is (6Z,8E,14Z)-icosatrienoic acid carrying hydroxy and oxo substituents at positions 5 and 12 respectively. It is a nonclassic icosanoid, a long-chain fatty acid, an oxo fatty acid and a hydroxy polyunsaturated fatty acid. It derives from a leukotriene B4. It is a conjugate acid of a 10,11-dihydro-12-oxoleukotriene B4(1-).

SMILES: CCCCC/C=C\CC(=O)CC/C=C/C=C\[C@@H](O)CCCC(=O)O

SELFIES: [C][C][C][C][C][/C][=C][\C][C][=Branch1][C][=O][C][C][/C][=C][/C][=C][\C@@H1][Branch1][C][O][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,19,22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t19-/m1/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 3.9