Molecule ID: 5461067

IUPAC Name: (E)-octadec-11-enoate

Description: The molecule is a vaccenate(1-) having a trans- double bond. It has a role as a human metabolite. It is a vaccenate(1-) and an octadecenoate. It is a conjugate base of a trans-vaccenic acid.

SMILES: CCCCCC/C=C/CCCCCCCCCC(=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-1]

InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/p-1/b8-7+

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 7.9