Secondary metabolite: 1-D-arabinitol monolinoleate Summary Molecular formula: C23H42O6
SMILES: CCCCC/C=CC/C=CCCCCCCCC(=O)OC[C@H]([C@@H]([C@@H](CO)O)O)O InChI: InChI=1S/C23H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)23(28)20(25)18-24/h6-7,9-10,20-21,23-26,28H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-,21-,23-/m1/s1 InChIKey: QEEPNWSVMUVIFO-ALSMKSPKSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Fatty Acyls
Sub class: Lineolic acids and derivatives
Synonymous chemical names: 1-d-arabinitol monolinoleate
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 414.58 Log P RDKit 3.42 Topological polar surface area (Å2 ) RDKit 107.22 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 23 Number of heavy atoms RDKit 29 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 3 Stereochemical complexity RDKit 0.13 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 5 Number of sp3 hybridized carbon atoms RDKit 18 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.78 Shape complexity RDKit 0.78 Number of rotatable bonds SwissADME 20 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 0 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 0 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 0
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