Molecule ID: 58743253

IUPAC Name: [(2S)-3-oxooctadecan-2-yl]azanium

Description: The molecule is a cationic sphingoid obtained by the protonation of the amino group of 1-deoxy-3-dehydrosphinganine; major species at pH 7.3. It is a cationic sphingoid and a Deoxysphingoid base. It is a conjugate acid of a 1-deoxy-3-dehydrosphinganine.

SMILES: CCCCCCCCCCCCCCCC(=O)[C@H](C)[NH3+]

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][NH3+1]

InChI: InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17H,3-16,19H2,1-2H3/p+1/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 44.7 Ų
- LogP: 6.8