1.0 2020-04-02 17:45:20 UTC 2025-11-19 03:07:46 UTC FDB097286 Glutamic acid-betaxanthin C14H16N2O8 340.288 340.090665483 (2S)-4-[(E)-2-{[(1S)-1,3-dicarboxypropyl]amino}ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid (2S)-4-[(E)-2-{[(1S)-1,3-dicarboxypropyl]amino}ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid OC(=O)CC[C@H](N\C=C\C1=CC(=N[C@@H](C1)C(O)=O)C(O)=O)C(O)=O InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,15H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b4-3+/t8-,10-/m0/s1 HWOAHVAPMFFSAN-PVXSWLFQSA-N belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Glutamic acid and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Allylamines Amino acids Amino fatty acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Dihydropyridinecarboxylic acids and derivatives Enamines Hydrocarbon derivatives Ketimines L-alpha-amino acids Organic oxides Propargyl-type 1,3-dipolar organic compounds Tetracarboxylic acids and derivatives Aliphatic heteromonocyclic compound Allylamine Alpha-amino acid Amine Amino acid Amino fatty acid Azacycle Carbonyl group Carboxylic acid Dihydropyridine Dihydropyridinecarboxylic acid derivative Enamine Fatty acyl Glutamic acid or derivatives Hydrocarbon derivative Hydropyridine Imine Ketimine L-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Tetracarboxylic acid or derivatives logp 0.07 ALOGPS logs -3.19 ALOGPS solubility 2.18e-01 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 1.08 ChemAxon pka_strongest_basic 9.08 ChemAxon iupac (2S)-4-[(E)-2-{[(1S)-1,3-dicarboxypropyl]amino}ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid ChemAxon average_mass 340.288 ChemAxon mono_mass 340.090665483 ChemAxon smiles OC(=O)CC[C@H](N\C=C\C1=CC(=N[C@@H](C1)C(O)=O)C(O)=O)C(O)=O ChemAxon formula C14H16N2O8 ChemAxon inchi InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,15H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b4-3+/t8-,10-/m0/s1 ChemAxon inchikey HWOAHVAPMFFSAN-PVXSWLFQSA-N ChemAxon polar_surface_area 173.59 ChemAxon refractivity 78.07 ChemAxon polarizability 32.07 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5842 Specdb::MsMs 240808 Specdb::MsMs 240809 Specdb::MsMs 240810 Specdb::MsMs 242863 Specdb::MsMs 242864 Specdb::MsMs 242865 Specdb::MsMs 3609916 Specdb::MsMs 3609917 Specdb::MsMs 3609918 Specdb::MsMs 3609919 Specdb::MsMs 3609920 Specdb::MsMs 3609921 Milk (Cow) Type 2 specific 38.495 117.0 0.58 uM Swiss chard Type 1 specific Beta vulgaris ssp. cicla 1527200