Molecule ID: 6161490

IUPAC Name: (E)-octadec-13-enoic acid

Description: The molecule is an octadecenoic acid with a trans-double bond at position C-13. It has a role as a human metabolite. It is a fatty acid 18:1 and an octadecenoic acid.

SMILES: CCCC/C=C/CCCCCCCCCCCC(=O)O

SELFIES: [C][C][C][C][/C][=C][/C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 7.2