Molecule ID: 42608342

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

Description: The molecule is a sphingoid that is the C14-analogue of sphingosine. It is a sphingoid and an aminodiol. It is a conjugate base of a tetradecasphingosine(1+).

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

SELFIES: [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/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/b11-10+/t13-,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 66.5 Ų
- LogP: 3.1