Molecule ID: 6443680

IUPAC Name: (5S,6E,8Z,10E,12E,14R,15S)-5,14,15,20-tetrahydroxyicosa-6,8,10,12-tetraenoic acid

Description: The molecule is a member of the class of lipoxins that is lipoxin B4 carrying an additional hydroxy substituent at position 20. It has a role as a human xenobiotic metabolite. It is an omega-hydroxy fatty acid, a lipoxin, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It derives from a lipoxin B4. It is a conjugate acid of a 20-hydroxylipoxin B4(1-).

SMILES: O=C(O)CCC[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCCCO

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

InChI: InChI=1S/C20H32O6/c21-16-9-5-8-14-19(24)18(23)13-7-4-2-1-3-6-11-17(22)12-10-15-20(25)26/h1-4,6-7,11,13,17-19,21-24H,5,8-10,12,14-16H2,(H,25,26)/b3-1-,4-2+,11-6+,13-7+/t17-,18-,19+/m1/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.5