Molecule ID: 16061072

IUPAC Name: (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid

Description: The molecule is the (13S)-stereoisomer of HOTrE. It has a role as a mouse metabolite. It is a conjugate acid of a 13(S)-HOTrE(1-).

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

SELFIES: [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/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 4.8