Molecule ID: 70678995

IUPAC Name: [(2S)-1-hydroxy-15-methyl-3-oxohexadecan-2-yl]azanium

Description: The molecule is a cationic sphingoid that is the conjugate acid of 3-dehydro-15-methylhexadecasphinganine, obtained by protonation of the amino group; major species at pH 7.3. It is a conjugate acid of a 3-dehydro-15-methylhexadecasphinganine.

SMILES: CC(C)CCCCCCCCCCCC(=O)[C@@H]([NH3+])CO

SELFIES: [C][C][Branch1][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/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-16,19H,3-14,18H2,1-2H3/p+1/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 64.9 Ų
- LogP: 4.9