Molecule ID: 53442599

IUPAC Name: 2-(tetracosanoylamino)ethanesulfonic acid

Description: The molecule is a fatty acid-taurine conjugate derived from tetracosanoic acid. It has a role as a mouse metabolite. It derives from a tetracosanoic acid. It is a conjugate acid of a N-tetracosanoyltaurine(1-).

SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(O)=NCCS(=O)(=O)O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][=N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C26H53NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27-24-25-32(29,30)31/h2-25H2,1H3,(H,27,28)(H,29,30,31)

Molecular Properties:
- Polar Surface Area: 91.8 Ų
- LogP: 10.1