1.0 2010-04-08 22:09:28 UTC 2019-11-26 03:04:33 UTC FDB011101 N2-Galacturonyl-L-lysine Possible constituent of plant cell walls including tomato and spinach. N2-Galacturonyl-L-lysine is found in green vegetables and garden tomato. N2-Galacturonopyranoside-L-lysine N2-Galacturonyl-L-lysine C12H22N2O8 322.3117 322.13761569 6-[(5-amino-1-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid 6-[(5-amino-1-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid 220718-56-9 NCCCCC(NC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O InChI=1S/C12H22N2O8/c13-4-2-1-3-5(11(18)19)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) HFIFPDNTHBGIPX-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Cyclohexenones Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Carbonyl group Cyclic ketone Cyclohexenone Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -3.00 ALOGPS logs -0.96 ALOGPS solubility 3.55e+01 g/l ALOGPS logp -7 ChemAxon pka_strongest_acidic 2.6 ChemAxon pka_strongest_basic 10.2 ChemAxon iupac 6-[(5-amino-1-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 322.3117 ChemAxon mono_mass 322.13761569 ChemAxon smiles NCCCCC(NC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O ChemAxon formula C12H22N2O8 ChemAxon inchi InChI=1S/C12H22N2O8/c13-4-2-1-3-5(11(18)19)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 HFIFPDNTHBGIPX-UHFFFAOYSA-N ChemAxon polar_surface_area 182.57 ChemAxon refractivity 70.11 ChemAxon polarizability 31.4 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 117918 Specdb::NmrOneD 117919 Specdb::NmrOneD 117920 Specdb::NmrOneD 117921 Specdb::NmrOneD 117922 Specdb::NmrOneD 117923 Specdb::NmrOneD 117924 Specdb::NmrOneD 117925 Specdb::NmrOneD 117926 Specdb::NmrOneD 117927 Specdb::NmrOneD 117928 Specdb::NmrOneD 117929 Specdb::NmrOneD 117930 Specdb::NmrOneD 117931 Specdb::NmrOneD 117932 Specdb::NmrOneD 117933 Specdb::NmrOneD 117934 Specdb::NmrOneD 117935 Specdb::NmrOneD 117936 Specdb::NmrOneD 117937 Specdb::MsMs 77949 Specdb::MsMs 77950 Specdb::MsMs 77951 Specdb::MsMs 138189 Specdb::MsMs 138190 Specdb::MsMs 138191 Specdb::MsMs 2763550 Specdb::MsMs 2763551 Specdb::MsMs 2763552 Specdb::MsMs 2942380 Specdb::MsMs 2942381 Specdb::MsMs 2942382 Specdb::CMs 11730 Specdb::CMs 43101 Specdb::CMs 147453 Specdb::CMs 147455 Specdb::CMs 147457 Specdb::CMs 147459 Specdb::CMs 147461 Specdb::CMs 147463 Specdb::CMs 147465 Specdb::CMs 147467 Specdb::CMs 147469 Specdb::CMs 147471 Specdb::CMs 147473 Specdb::CMs 147476 Specdb::CMs 147478 Specdb::CMs 147480 Specdb::CMs 147482 Specdb::CMs 147484 Specdb::CMs 169186 Specdb::CMs 279615 HMDB33105 #<Reference:0x000055ce32150be8> 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