Molecule ID: 71668373

IUPAC Name: (Z)-7-[(2S,3R)-3-[(1S,2Z,5Z)-1-hydroxyundeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid

Description: The molecule is an epoxy(hydroxy)icosatrienoic acid that is the (8S,9S)-epoxy-(10R)-hydroxy derivative of icosa-(5Z,11Z,14Z)-trienoic acid. It is a conjugate acid of an (8S,9S)-epoxy-(10R)-hydroxyicosa-(5Z,11Z,14Z)-trienoate.

SMILES: CCCCC/C=C\C/C=C\[C@H](O)[C@H]1O[C@H]1C/C=C\CCCC(=O)O

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C@H1][Branch1][C][O][C@H1][O][C@H1][Ring1][Ring1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-11-14-17(21)20-18(24-20)15-12-9-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17-,18-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 4.3