Molecule ID: 86014199

IUPAC Name: 2-(icosanoylamino)ethanesulfonic acid

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

SMILES: CCCCCCCCCCCCCCCCCCCC(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][Branch1][C][O][=N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C22H45NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-28(25,26)27/h2-21H2,1H3,(H,23,24)(H,25,26,27)

Molecular Properties:
- Polar Surface Area: 91.8 Ų
- LogP: 7.9