Molecule ID: 78093979

IUPAC Name: 10-(3,5-dihydroxy-6-methyloxan-2-yl)oxyundecanoic acid

Description: The molecule is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (10R)-10-hydroxyundecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It is a monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from a (10R)-10-hydroxyundecanoic acid. It is a conjugate acid of an ascr#18(1-).

SMILES: CC(CCCCCCCCC(=O)O)OC1OC(C)C(O)CC1O

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

InChI: InChI=1S/C17H32O6/c1-12(9-7-5-3-4-6-8-10-16(20)21)22-17-15(19)11-14(18)13(2)23-17/h12-15,17-19H,3-11H2,1-2H3,(H,20,21)

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 2.6