Secondary metabolite: Termitomycamide C Summary Molecular formula: C28H44N2O3
SMILES: CCCCC/C=CC/C=CCCCCCCCC(=O)NCCC[n+]1ccc(c(c1)C)C(=O)[O-] InChI: InChI=1S/C28H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27(31)29-21-18-22-30-23-20-26(28(32)33)25(2)24-30/h7-8,10-11,20,23-24H,3-6,9,12-19,21-22H2,1-2H3,(H-,29,31,32,33)/b8-7-,11-10- InChIKey: OKMBSTLKRRSPTR-NQLNTKRDSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organoheterocyclic compounds Class: Pyridines and derivatives
Sub class: Pyridinecarboxylic acids and derivatives
Synonymous chemical names: termitomycamide c
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 456.67 Log P RDKit 4.97 Topological polar surface area (Å2 ) RDKit 73.11 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 28 Number of heavy atoms RDKit 33 Number of heteroatoms RDKit 5 Number of nitrogen atoms RDKit 2 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 0 Stereochemical complexity RDKit 0 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 11 Number of sp3 hybridized carbon atoms RDKit 17 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.61 Shape complexity RDKit 0.61 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 1 Number of aromatic rings RDKit 1 Total number of rings RDKit 1 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 1
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