Molecule ID: 72204812

IUPAC Name: (5Z,8Z,11Z,13E,15E,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid

Description: The molecule is a member of the class of resolvins that is (5Z,8Z,11Z,13E,15E)-icosapentaenoic acid which is substituted at positions 17 and 18 by hydroxy groups (the 17,18R) stereoisomer). It has a role as an anti-inflammatory agent. It is a diol, a resolvin, a secondary allylic alcohol and a hydroxy polyunsaturated fatty acid.

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

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

InChI: InChI=1S/C20H30O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,12-10+,16-14+/t18-,19?/m1/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 3.6