Molecule ID: 86289528

IUPAC Name: (5S,6R,7E,9E,11Z,15S)-5,6,15-trihydroxyicosa-7,9,11-trienoic acid

Description: The molecule is a trienoic fatty acid obtained by formal hydrogenation across the 13,14-double bond of lipoxin A4. It has a role as a human metabolite. It is a long-chain fatty acid, a trienoic fatty acid, an icosanoid and a hydroxy polyunsaturated fatty acid.

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

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

InChI: InChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t17-,18+,19-/m0/s1

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