Molecule ID: 70678996

IUPAC Name: (2S)-2-amino-1-hydroxy-15-methylhexadecan-3-one

Description: The molecule is a sphingoid that is 3-dehydrohexadecasphinganine substituted at position 15 by a methyl group. It is a sphingoid, an amino alcohol and a ketone. It is a conjugate base of a 3-dehydro-15-methylhexadecasphinganine(1+).

SMILES: CC(C)CCCCCCCCCCCC(=O)[C@@H](N)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][N][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/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: 4.9