Molecule ID: 10062076

IUPAC Name: (2S,3R,6Z,9Z,12Z,15Z)-2-aminooctadeca-6,9,12,15-tetraen-3-ol

Description: The molecule is a sphingoid that is 1-deoxysphinganine having cis-double bonds at positions 6, 9, 12, and 15. It has a role as a metabolite. It is a sphingoid and an amino alcohol. It derives from a 1-deoxysphinganine.

SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O)[C@H](C)N

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][C][N]

InChI: InChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h4-5,7-8,10-11,13-14,17-18,20H,3,6,9,12,15-16,19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-/t17-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 46.2 Ų
- LogP: 4.0