Molecule ID: 46878428

IUPAC Name: [(2S,3R)-1,3-dihydroxyoctadecan-2-yl]azanium

Description: The molecule is a cationic sphingoid obtained by protonation of the amino group of sphinganine. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a sphinganine.

SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO

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

InChI: InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/p+1/t17-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 68.1 Ų
- LogP: 5.8