Molecule ID: 49852310

IUPAC Name: [(2S)-1-hydroxy-3-oxooctadecan-2-yl]azanium

Description: The molecule is a cationic sphingoid that is the conjugate acid of 3-dehydrosphinganine; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a 3-dehydrosphinganine.

SMILES: CCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])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][NH3+1][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/p+1/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 64.9 Ų
- LogP: 5.7