1.0 2010-04-08 22:09:42 UTC 2018-05-28 22:27:54 UTC FDB011555 Small bacteriocin Bacteriocin. Production by Rhizobium leguminosarum. Small bacteriocin C18H31NO4 325.443 325.225308485 (7E)-3-hydroxy-N-(2-oxooxolan-3-yl)tetradec-7-enamide (7E)-3-hydroxy-N-(2-oxooxolan-3-yl)tetradec-7-enamide 172617-17-3 CCCCCC\C=C\CCCC(O)CC(=O)NC1CCOC1=O InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7+ GFSFGXWHLLUVRK-BQYQJAHWSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Acyl homoserine lactones Alpha amino acid esters Carbonyl compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Secondary alcohols Secondary carboxylic acid amides Tetrahydrofurans Acyl-homoserine lactone Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid ester Carbonyl group Carboxamide group Carboxylic acid ester Fatty acyl Fatty amide Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary alcohol Secondary carboxylic acid amide Tetrahydrofuran logp 3.70 ALOGPS logs -3.78 ALOGPS solubility 5.45e-02 g/l ALOGPS logp 2.92 ChemAxon pka_strongest_acidic 12.4 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac (7E)-3-hydroxy-N-(2-oxooxolan-3-yl)tetradec-7-enamide ChemAxon average_mass 325.443 ChemAxon mono_mass 325.225308485 ChemAxon smiles CCCCCC\C=C\CCCC(O)CC(=O)NC1CCOC1=O ChemAxon formula C18H31NO4 ChemAxon inchi InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,15-16,20H,2-6,9-14H2,1H3,(H,19,21)/b8-7+ ChemAxon inchikey GFSFGXWHLLUVRK-BQYQJAHWSA-N ChemAxon polar_surface_area 75.63 ChemAxon refractivity 90.73 ChemAxon polarizability 38.1 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21135 Specdb::CMs 43328 Specdb::CMs 165868 Specdb::MsMs 90876 Specdb::MsMs 90877 Specdb::MsMs 90878 Specdb::MsMs 154140 Specdb::MsMs 154141 Specdb::MsMs 154142 Specdb::MsMs 2795030 Specdb::MsMs 2795031 Specdb::MsMs 2795032 Specdb::MsMs 2884532 Specdb::MsMs 2884533 Specdb::MsMs 2884534 HMDB33503 #<Reference:0x000055ce306e2b80>