Molecule ID: 70697781

IUPAC Name: (Z,2R,3R,6R)-2-aminooctadec-7-ene-1,3,6-triol

Description: The molecule is a sphingoid that is octadec-7-ene substituted by an amino group at position 2 and hydroxy groups at positions 1, 3 and 6 (the 2R,3R,6R,7Z stereoisomer). It is isolated from the marine sponge Haliclona. It has a role as a metabolite. It is a sphingoid and an amino alcohol.

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

SELFIES: [C][C][C][C][C][C][C][C][C][C][/C][=C][\C@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][O]

InChI: InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)13-14-18(22)17(19)15-20/h11-12,16-18,20-22H,2-10,13-15,19H2,1H3/b12-11-/t16-,17+,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 3.8