Molecule ID: 9576787

IUPAC Name: N-[(E)-[(2E,4E,7E)-undeca-2,4,7-trienylidene]amino]nitrous amide

Description: The molecule is a nitroso compound that is N-undecylnitrous hydrazide carrying double bonds at positions 1,2,4, and 7. It is a long-chain fatty acyl CoA synthetase inhibitor and interferes with lipid metabolism by inhibiting the de novo synthesis of glycerolipids and cholesterol esters. It has a role as an EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor, a vasodilator agent, an apoptosis inhibitor, a bacterial metabolite, an EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor and an antimalarial. It is a nitroso compound, an olefinic compound and a hydrazone.

SMILES: CCC/C=C/C/C=C/C=C/C=N/N=NO

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

InChI: InChI=1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)/b5-4+,8-7+,10-9+,12-11+

Molecular Properties:
- Polar Surface Area: 53.8 Ų
- LogP: 3.4