Molecule ID: 42608345

IUPAC Name: (E,2S,3R)-2-amino-15-methylhexadec-4-ene-1,3-diol

Description: The molecule is a sphingoid that is hexadecasphing-4-enine substituted at position 15 by a methyl group. It is a sphingoid and an aminodiol. It is a conjugate base of a 15-methylhexadecasphing-4-enine(1+).

SMILES: CC(C)CCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO

SELFIES: [C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][/C][=C][/C@@H1][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/h11,13,15-17,19-20H,3-10,12,14,18H2,1-2H3/b13-11+/t16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 66.5 Ų
- LogP: 4.5