Molecule ID: 439853

IUPAC Name: (2S)-2-amino-1-hydroxyoctadecan-3-one

Description: The molecule is a 2-amino-1-hydroxyoctadecan-3-one that has S-configuration. It has a role as a mouse metabolite. It derives from a sphinganine. It is a conjugate base of a 3-dehydrosphinganinium(1+).

SMILES: CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][O]

InChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: 5.7