Molecule ID: 14757418

IUPAC Name: (E,2S,3S,4R)-2-aminooctadec-8-ene-1,3,4-triol

Description: The molecule is a sphingoid consisting of (8E)-sphing-8-enine bearing an additional (R)-hydroxy substituent at the 4-position. It derives from a sphing-8-enine. It is a conjugate acid of a 4-hydroxysphing-8-enine(1+).

SMILES: CCCCCCCCC/C=C/CCC[C@@H](O)[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][O][C@@H1][Branch1][C][N][C][O]

InChI: InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 3.7