1.0 2010-04-08 22:09:28 UTC 2019-11-26 03:04:33 UTC FDB011102 N6-Galacturonyl-L-lysine Possible constituent of plant cell walls including tomato and spinach. N6-Galacturonyl-L-lysine is found in green vegetables and garden tomato. N6-Galacturonyl-L-lysine C12H22N2O8 322.3117 322.13761569 6-[(5-amino-5-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid 6-[(5-amino-5-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid 220718-57-0 NC(CCCCNC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O InChI=1S/C12H22N2O8/c13-5(11(18)19)3-1-2-4-14-10-8(17)6(15)7(16)9(22-10)12(20)21/h5-10,14-17H,1-4,13H2,(H,18,19)(H,20,21) CFQJLIHMLCPJQF-UHFFFAOYSA-N belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond. N-glucuronides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Alpha amino acids Amino acids Amino fatty acids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dialkylamines Dicarboxylic acids and derivatives Glycosylamines Hemiaminals Heterocyclic fatty acids Hexoses Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monoalkylamines Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols 1-n-glucuronide Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Amino fatty acid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Glycosyl compound Hemiaminal Heterocyclic fatty acid Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Medium-chain fatty acid Monosaccharide N-glucuronide N-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary aliphatic amine Primary amine Pyran Secondary alcohol Secondary aliphatic amine Secondary amine logp -2.98 ALOGPS logs -0.97 ALOGPS solubility 3.48e+01 g/l ALOGPS logp -7.1 ChemAxon pka_strongest_acidic 1.97 ChemAxon pka_strongest_basic 9.55 ChemAxon iupac 6-[(5-amino-5-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 322.3117 ChemAxon mono_mass 322.13761569 ChemAxon smiles NC(CCCCNC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O ChemAxon formula C12H22N2O8 ChemAxon inchi InChI=1S/C12H22N2O8/c13-5(11(18)19)3-1-2-4-14-10-8(17)6(15)7(16)9(22-10)12(20)21/h5-10,14-17H,1-4,13H2,(H,18,19)(H,20,21) ChemAxon inchikey CFQJLIHMLCPJQF-UHFFFAOYSA-N ChemAxon polar_surface_area 182.57 ChemAxon refractivity 70.11 ChemAxon polarizability 31.29 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14580 Specdb::CMs 43102 Specdb::CMs 134479 Specdb::CMs 142213 Specdb::MsMs 63360 Specdb::MsMs 63361 Specdb::MsMs 63362 Specdb::MsMs 120309 Specdb::MsMs 120310 Specdb::MsMs 120311 Specdb::MsMs 2424685 Specdb::MsMs 2424686 Specdb::MsMs 2424687 Specdb::MsMs 2514832 Specdb::MsMs 2514833 Specdb::MsMs 2514834 Specdb::NmrOneD 117938 Specdb::NmrOneD 117939 Specdb::NmrOneD 117940 Specdb::NmrOneD 117941 Specdb::NmrOneD 117942 Specdb::NmrOneD 117943 Specdb::NmrOneD 117944 Specdb::NmrOneD 117945 Specdb::NmrOneD 117946 Specdb::NmrOneD 117947 Specdb::NmrOneD 117948 Specdb::NmrOneD 117949 Specdb::NmrOneD 117950 Specdb::NmrOneD 117951 Specdb::NmrOneD 117952 Specdb::NmrOneD 117953 Specdb::NmrOneD 117954 Specdb::NmrOneD 117955 Specdb::NmrOneD 117956 Specdb::NmrOneD 117957 HMDB33106 #<Reference:0x000055ce32326940> Garden tomato Type 1 specific Solanum lycopersicum 4081 Green vegetables Unknown generic UDP-glucuronosyltransferase 1-1 P22309 UGT1A1 UDP-glucuronosyltransferase 1-4 P22310 UGT1A4 UDP-glucuronosyltransferase 1-6 P19224 UGT1A6 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2B4 P06133 UGT2B4 UDP-glucuronosyltransferase 2B7 P16662 UGT2B7