Molecule ID: 11220228

IUPAC Name: (2S,3R,4E,8E)-2-aminooctadeca-4,8-diene-1,3-diol

Description: The molecule is a sphingoid that is sphingosine having an additional trans-double bond at position 8. It has a role as a mouse metabolite. It derives from a sphingosine. It is a conjugate base of a sphinga-4E,8E-dienine(1+).

SMILES: CCCCCCCCC/C=C/CC/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][/C@@H1][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/h10-11,14-15,17-18,20-21H,2-9,12-13,16,19H2,1H3/b11-10+,15-14+/t17-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 66.5 Ų
- LogP: 4.4