1.0 2010-04-08 22:13:50 UTC 2019-11-26 03:16:25 UTC FDB018635 Humilixanthin Iso. from the yellow-coloured root of beetroot Beta vulgaris. Humilixanthin is found in common beet and root vegetables. Humilixanthin C14H18N2O7 326.3019 326.11140094 (4Z)-4-[(2E)-2-[(1-carboxy-4-hydroxybutyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid (4Z)-4-[(2E)-2-[(1-carboxy-4-hydroxybutyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid 111534-70-4 OCCCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O InChI=1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,16-17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)/b8-3+,15-4+ RVPIQBBRHBAQKG-UMBPYZIISA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Enamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols Propargyl-type 1,3-dipolar organic compounds Shiff bases Tetrahydropyridines Tricarboxylic acids and derivatives Alcohol Aldimine Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Azacycle Carbonyl group Carboxylic acid Enamine Hydrocarbon derivative Hydropyridine Imine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Shiff base Tetrahydropyridine Tricarboxylic acid or derivatives logp 0.34 ALOGPS logs -3.06 ALOGPS solubility 2.85e-01 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 1.69 ChemAxon pka_strongest_basic 8.67 ChemAxon iupac (4Z)-4-[(2E)-2-[(1-carboxy-4-hydroxybutyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid ChemAxon average_mass 326.3019 ChemAxon mono_mass 326.11140094 ChemAxon smiles OCCCC(\N=C\C=C1\CC(NC(=C1)C(O)=O)C(O)=O)C(O)=O ChemAxon formula C14H18N2O7 ChemAxon inchi InChI=1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,16-17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)/b8-3+,15-4+ ChemAxon inchikey RVPIQBBRHBAQKG-UMBPYZIISA-N ChemAxon polar_surface_area 156.52 ChemAxon refractivity 79.37 ChemAxon polarizability 31.84 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25980 Specdb::CMs 46269 Specdb::CMs 159059 Specdb::NmrOneD 31262 Specdb::NmrOneD 31263 Specdb::NmrOneD 31264 Specdb::NmrOneD 31265 Specdb::NmrOneD 31266 Specdb::NmrOneD 31267 Specdb::NmrOneD 31268 Specdb::NmrOneD 31269 Specdb::NmrOneD 31270 Specdb::NmrOneD 31271 Specdb::NmrOneD 31272 Specdb::NmrOneD 31273 Specdb::NmrOneD 31274 Specdb::NmrOneD 31275 Specdb::NmrOneD 31276 Specdb::NmrOneD 31277 Specdb::NmrOneD 31278 Specdb::NmrOneD 31279 Specdb::NmrOneD 31280 Specdb::NmrOneD 31281 Specdb::MsMs 97086 Specdb::MsMs 97087 Specdb::MsMs 97088 Specdb::MsMs 161736 Specdb::MsMs 161737 Specdb::MsMs 161738 Specdb::MsMs 2823275 Specdb::MsMs 2823276 Specdb::MsMs 2823277 Specdb::MsMs 2859305 Specdb::MsMs 2859306 Specdb::MsMs 2859307 HMDB39123 #<Reference:0x000055ce321880e8> Common beet Type 1 specific Beta vulgaris 161934 Root vegetables Unknown generic