1.0 2010-04-08 22:04:49 UTC 2020-02-24 19:10:19 UTC FDB001057 Betalamic acid Precursor of betalains pigments in plants of the Centrospermae. Detected in Beta vulgaris (beetroot). Betalamic acid is found in red beetroot, common beet, and root vegetables. 1,2,3,4-Tetrahydro-4-(oxoethylidene)-2,6-pyridinedicarboxylic acid Betalanic acid C9H9NO5 211.1715 211.048072403 (4Z)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid (4Z)-4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid 18766-66-0 OC(=O)C1C\C(=C\C=O)C=C(N1)C(O)=O InChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1+ YQDKULBMDMPFLH-ORCRQEGFSA-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 Aldehydes Amino acids Azacyclic compounds Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Enals Enamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Tetrahydropyridines Aldehyde Aliphatic heteromonocyclic compound Alpha,beta-unsaturated aldehyde Alpha-amino acid Amine Amino acid Azacycle Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Enal Enamine Hydrocarbon derivative Hydropyridine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tetrahydropyridine logp 0.53 ALOGPS logs -1.65 ALOGPS solubility 4.72e+00 g/l ALOGPS logp -0.94 ChemAxon pka_strongest_acidic 3.43 ChemAxon pka_strongest_basic -0.014 ChemAxon iupac (4Z)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid ChemAxon average_mass 211.1715 ChemAxon mono_mass 211.048072403 ChemAxon smiles OC(=O)C1C\C(=C\C=O)C=C(N1)C(O)=O ChemAxon formula C9H9NO5 ChemAxon inchi InChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1+ ChemAxon inchikey YQDKULBMDMPFLH-ORCRQEGFSA-N ChemAxon polar_surface_area 103.7 ChemAxon refractivity 50.78 ChemAxon polarizability 19.04 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19598 Specdb::CMs 41586 Specdb::CMs 160316 Specdb::NmrOneD 159670 Specdb::NmrOneD 159671 Specdb::NmrOneD 159672 Specdb::NmrOneD 159673 Specdb::NmrOneD 159674 Specdb::NmrOneD 159675 Specdb::NmrOneD 159676 Specdb::NmrOneD 159677 Specdb::NmrOneD 159678 Specdb::NmrOneD 159679 Specdb::NmrOneD 159680 Specdb::NmrOneD 159681 Specdb::NmrOneD 159682 Specdb::NmrOneD 159683 Specdb::NmrOneD 159684 Specdb::NmrOneD 159685 Specdb::NmrOneD 159686 Specdb::NmrOneD 159687 Specdb::NmrOneD 159688 Specdb::NmrOneD 159689 Specdb::MsMs 64110 Specdb::MsMs 64111 Specdb::MsMs 64112 Specdb::MsMs 121173 Specdb::MsMs 121174 Specdb::MsMs 121175 Specdb::MsMs 2743699 Specdb::MsMs 2743700 Specdb::MsMs 2743701 Specdb::MsMs 2934507 Specdb::MsMs 2934508 Specdb::MsMs 2934509 HMDB29842 27483 #<Reference:0x000055ce3250cc50> Common beet Type 1 specific Beta vulgaris 161934 Red beetroot Type 1 specific Beta vulgaris var. rubra Root vegetables Unknown generic Pigment 1227 An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.