Molecule ID: 145944466

IUPAC Name: 2-[[(Z)-tetracos-15-enoyl]amino]ethanesulfonate

Description: The molecule is a fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-nervonoyltaurine; major species at pH 7.3. It is a conjugate base of a N-nervonoyltaurine.

SMILES: CCCCCCCC/C=C\CCCCCCCCCCCCCC([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-1][=N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C26H51NO4S/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/h9-10H,2-8,11-25H2,1H3,(H,27,28)(H,29,30,31)/p-1/b10-9-

Molecular Properties:
- Polar Surface Area: 94.7 Ų
- LogP: 9.1