Molecule ID: 9839212

IUPAC Name: (E,2S)-2-amino-1-hydroxyoctadec-4-en-3-one

Description: The molecule is a sphingoid that is the 3-keto analogue of sphingosine. It is an amino alcohol, an enone, a beta-hydroxy ketone and a sphingoid. It derives from a sphing-4-enine and a sphingosine.

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

SELFIES: [C][C][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/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17,20H,2-13,16,19H2,1H3/b15-14+/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: 5.6