1.0 2020-04-02 17:45:31 UTC 2025-11-19 03:07:47 UTC FDB097288 Glycine-betaxanthin C11H12N2O6 268.225 268.069536114 (2S,4E)-4-[(2Z)-2-[(carboxymethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid portulacaxanthin III OC(=O)C\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O InChI=1S/C11H12N2O6/c14-9(15)5-12-2-1-6-3-7(10(16)17)13-8(4-6)11(18)19/h1-3,8,13H,4-5H2,(H,14,15)(H,16,17)(H,18,19)/b6-1-,12-2-/t8-/m0/s1 ZZZQMKRQWYRKFG-HVXFQPPXSA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-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 Propargyl-type 1,3-dipolar organic compounds Shiff bases Tetrahydropyridines Tricarboxylic acids and derivatives Aldimine Aliphatic heteromonocyclic compound Amine Amino acid Azacycle Carbonyl group Carboxylic acid Enamine Hydrocarbon derivative Hydropyridine Imine L-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Shiff base Tetrahydropyridine Tricarboxylic acid or derivatives Betaxanthins non-proteinogenic alpha-amino acid logp 0.44 ALOGPS logs -2.83 ALOGPS solubility 4.01e-01 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 1.56 ChemAxon pka_strongest_basic 9.04 ChemAxon iupac (2S,4E)-4-[(2Z)-2-[(carboxymethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid ChemAxon average_mass 268.225 ChemAxon mono_mass 268.069536114 ChemAxon smiles OC(=O)C\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O ChemAxon formula C11H12N2O6 ChemAxon inchi InChI=1S/C11H12N2O6/c14-9(15)5-12-2-1-6-3-7(10(16)17)13-8(4-6)11(18)19/h1-3,8,13H,4-5H2,(H,14,15)(H,16,17)(H,18,19)/b6-1-,12-2-/t8-/m0/s1 ChemAxon inchikey ZZZQMKRQWYRKFG-HVXFQPPXSA-N ChemAxon polar_surface_area 136.29 ChemAxon refractivity 63.82 ChemAxon polarizability 25.38 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5858 Specdb::MsMs 240892 Specdb::MsMs 240893 Specdb::MsMs 240894 Specdb::MsMs 242947 Specdb::MsMs 242948 Specdb::MsMs 242949 Specdb::MsMs 3609925 Specdb::MsMs 3609926 Specdb::MsMs 3609927 Specdb::MsMs 3609928 Specdb::MsMs 3609929 Specdb::MsMs 3609930 Milk (Cow) Type 2 specific 38.495 117.0 0.58 uM Swiss chard Type 1 specific Beta vulgaris ssp. cicla 1527200