Molecule ID: 126456471

IUPAC Name: (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid

Description: The molecule is a dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14R- and 22-positions. It has a role as an anti-inflammatory agent and a human xenobiotic metabolite. It is an omega-hydroxy fatty acid, a dihydroxydocosahexaenoic acid and a secondary allylic alcohol. It is a conjugate acid of a (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosahexaenoate. It is an enantiomer of a (4Z,7Z,10Z,12E,14S,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid.

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

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

InChI: InChI=1S/C22H32O4/c23-20-16-12-8-7-10-14-18-21(24)17-13-9-5-3-1-2-4-6-11-15-19-22(25)26/h1-2,5-6,8-14,17,21,23-24H,3-4,7,15-16,18-20H2,(H,25,26)/b2-1-,9-5-,11-6-,12-8-,14-10-,17-13+/t21-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 3.9