Molecule ID: 24836820

IUPAC Name: (E)-10-nitrooctadec-9-enoic acid

Description: The molecule is a nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 10. It has a role as a human metabolite. It is a long-chain fatty acid, a nitro fatty acid and a monounsaturated fatty acid. It derives from an elaidic acid.

SMILES: CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-]

SELFIES: [C][C][C][C][C][C][C][C][/C][=Branch1][=C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: 6.7