Molecule ID: 101939321

IUPAC Name: (5Z,8Z,11Z,13S,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid

Description: The molecule is a 13-HETE in which the stereocentre at position 13 has S-configuration. It is a conjugate acid of a 13(S)-HETE(1-).

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

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

InChI: InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.2