1.0 2010-04-08 22:04:59 UTC 2025-11-18 22:31:41 UTC FDB001500 Cucumopine Cucumopine, also known as mikimopine or cucumopine, (4r-cis)-isomer, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Cucumopine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Cucumopine can be found in carrot and wild carrot, which makes cucumopine a potential biomarker for the consumption of these food products. C11H13N3O6 283.2374 283.080435163 (4S,6S)-4-(2-carboxyethyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4,6-dicarboxylic acid cucumopine 110342-24-0 [H][C@]1(CC2=C(NC=N2)[C@](CCC(O)=O)(N1)C(O)=O)C(O)=O InChI=1S/C11H13N3O6/c15-7(16)1-2-11(10(19)20)8-5(12-4-13-8)3-6(14-11)9(17)18/h4,6,14H,1-3H2,(H,12,13)(H,15,16)(H,17,18)(H,19,20)/t6-,11-/m0/s1 XGCZNSAJOHDWQS-KGFZYKRKSA-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 Aromatic heteropolycyclic compounds Amino acids Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Imidazopiperidines Imidazopyridines Organic oxides Organopnictogen compounds Tricarboxylic acids and derivatives Amine Amino acid Aralkylamine Aromatic heteropolycyclic compound Azacycle Azole Carbonyl group Carboxylic acid Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopiperidine Imidazopyridine L-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tricarboxylic acid or derivatives non-proteinogenic alpha-amino acid logp -1.09 ALOGPS logs -1.61 ALOGPS solubility 6.89e+00 g/l ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 1.96 ChemAxon pka_strongest_basic 7.01 ChemAxon iupac (4S,6S)-4-(2-carboxyethyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4,6-dicarboxylic acid ChemAxon average_mass 283.2374 ChemAxon mono_mass 283.080435163 ChemAxon smiles [H][C@]1(CC2=C(NC=N2)[C@](CCC(O)=O)(N1)C(O)=O)C(O)=O ChemAxon formula C11H13N3O6 ChemAxon inchi InChI=1S/C11H13N3O6/c15-7(16)1-2-11(10(19)20)8-5(12-4-13-8)3-6(14-11)9(17)18/h4,6,14H,1-3H2,(H,12,13)(H,15,16)(H,17,18)(H,19,20)/t6-,11-/m0/s1 ChemAxon inchikey XGCZNSAJOHDWQS-KGFZYKRKSA-N ChemAxon polar_surface_area 152.61 ChemAxon refractivity 62.03 ChemAxon polarizability 25.34 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 47421 Specdb::MsMs 47422 Specdb::MsMs 47423 Specdb::MsMs 156210 Specdb::MsMs 156211 Specdb::MsMs 156212 Specdb::MsMs 3597592 Specdb::MsMs 3597593 Specdb::MsMs 3597594 Specdb::MsMs 3597595 Specdb::MsMs 3597596 Specdb::MsMs 3597597 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Wild carrot Type 1 specific Daucus carota 4039