Molecule ID: 24778500

IUPAC Name: 2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]propane-1,3-diol

Description: The molecule is a 2-alkylglycerol in which glycerol is linked to 8-[3]-ladderane-octanyl via an ether-bond at position 2. Glycerols, substituted by ladderanes are core lipids of anammox bacteria. It is a ladderane and a 2-alkylglycerol.

SMILES: OCC(CO)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21

SELFIES: [O][C][C][Branch1][Ring1][C][O][O][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C23H40O3/c24-14-17(15-25)26-12-6-4-2-1-3-5-7-16-8-9-20-21(13-16)23-19-11-10-18(19)22(20)23/h16-25H,1-15H2

Molecular Properties:
- Polar Surface Area: 49.7 Ų
- LogP: 5.8