Molecule ID: 86289431

IUPAC Name: [(E,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]azanium

Description: The molecule is a cationic sphingoid resulting from the protonation of the amino group of L-erythro-sphingosine; major species at pH 7.3. It is a conjugate acid of a L-erythro-sphingosine. It is an enantiomer of a sphingosine(1+).

SMILES: CCCCCCCCCCCCC/C=C/[C@H](O)[C@H]([NH3+])CO

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][/C@H1][Branch1][C][O][C@H1][Branch1][C][NH3+1][C][O]

InChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/p+1/b15-14+/t17-,18+/m1/s1

Molecular Properties:
- Polar Surface Area: 68.1 Ų
- LogP: 5.3