1.0 2020-04-03 17:07:38 UTC 2020-04-03 17:07:39 UTC FDB098395 N-oleoyl glutamine C23H42N2O4 410.599 410.31445784 (2S)-4-(C-hydroxycarbonimidoyl)-2-{[(9Z)-1-hydroxyoctadec-9-en-1-ylidene]amino}butanoic acid (2S)-4-(C-hydroxycarbonimidoyl)-2-{[(9Z)-1-hydroxyoctadec-9-en-1-ylidene]amino}butanoic acid [H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=N[C@@]([H])(CCC(O)=N)C(O)=O InChI=1S/C23H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h9-10,20H,2-8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/b10-9-/t20-/m0/s1 ZHVSXWCIYWYBQP-QJRAZLAKSA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Glutamine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-glutamines Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Secondary carboxylic acid amides Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid N-acyl-l-glutamine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary carboxylic acid amide Secondary carboxylic acid amide N-acyl amines logp 5.76 ALOGPS logs -5.84 ALOGPS solubility 5.99e-04 g/l ALOGPS logp 4.01 ChemAxon pka_strongest_acidic -0.44 ChemAxon pka_strongest_basic 12.92 ChemAxon iupac (2S)-4-(C-hydroxycarbonimidoyl)-2-{[(9Z)-1-hydroxyoctadec-9-en-1-ylidene]amino}butanoic acid ChemAxon average_mass 410.599 ChemAxon mono_mass 410.31445784 ChemAxon smiles [H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=N[C@@]([H])(CCC(O)=N)C(O)=O ChemAxon formula C23H42N2O4 ChemAxon inchi InChI=1S/C23H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-20(23(28)29)18-19-21(24)26/h9-10,20H,2-8,11-19H2,1H3,(H2,24,26)(H,25,27)(H,28,29)/b10-9-/t20-/m0/s1 ChemAxon inchikey ZHVSXWCIYWYBQP-QJRAZLAKSA-N ChemAxon polar_surface_area 113.97 ChemAxon refractivity 128.77 ChemAxon polarizability 50.13 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1233043 Specdb::MsMs 1233044 Specdb::MsMs 1233045 Specdb::MsMs 1348555 Specdb::MsMs 1348556 Specdb::MsMs 1348557 Milk (Cow) Type 2 specific