Molecule ID: 40490686

IUPAC Name: (5Z,8Z,11S,12S,14Z)-11,12-dihydroxyicosa-5,8,14-trienoic acid

Description: The molecule is a (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid in which the two stereocentres at positions 11 and 12 both have S-configuration. It derives from an arachidonic acid. It is a conjugate acid of a (5Z,8Z,11S,12S,14Z)-11,12-dihydroxyicosatrienoate. It is an enantiomer of a (5Z,8Z,11R,12R,14Z)-11,12-dihydroxyicosatrienoic acid.

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

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

InChI: InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-/t18-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 4.4