Molecule ID: 5283557

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

Description: The molecule is a sphingoid that is the C17 analogue of sphingosine. It is an aminodiol and a sphingoid. It is a conjugate base of a C17 sphingosine(1+).

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

SELFIES: [C][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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h13-14,16-17,19-20H,2-12,15,18H2,1H3/b14-13+/t16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 66.5 Ų
- LogP: 4.7