Molecule ID: 102571781

IUPAC Name: (5S,6R,7E,9E,11Z,13E,15S)-5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid

Description: The molecule is a member of the class of lipoxins that is lipoxin A4 carrying an additional hydroxy substituent at position 20. It has a role as a human xenobiotic metabolite. It is a lipoxin, a long-chain fatty acid, an omega-hydroxy fatty acid and a hydroxy polyunsaturated fatty acid. It derives from a lipoxin A4. It is a conjugate acid of a 20-hydroxylipoxin A4(1-).

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

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

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

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