2.0 2012-07-30 14:55:31 -0600 2015-06-03 17:21:16 -0600 ECMDB21379 M2MDB001775 Ectoine Ectoine (1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid) is a natural compound found in several species of bacteria. It is a compatible solute which serves as a protective substance by acting as an osmolyte and thus helps organisms survive extreme osmotic stress. Ectoine is found in high concentrations in halophilic microorganisms and confers resistance towards salt and temperature stress. Ectoine was first identified in the microorganism Ectothiorhodospira halochloris, but has since been found in a wide range of gram-negative and gram-positive bacteria. Some other species ectoine was found in: (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylate (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid 1,4,5,6-Tetrahydro-2-methyl-4-pyrimidine carboxylate 1,4,5,6-Tetrahydro-2-methyl-4-pyrimidine carboxylic acid Ectoine L-Ectoine C6H10N2O2 142.1558 142.074227574 2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid ectoine CC1=NCCC(N1)C(O)=O InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10) WQXNXVUDBPYKBA-UHFFFAOYSA-N Cytoplasm logp -0.23 ALOGPS logs -1.14 ALOGPS solubility 1.03e+01 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 2.87 ChemAxon pka_strongest_basic 10.52 ChemAxon iupac 2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid ChemAxon average_mass 142.1558 ChemAxon mono_mass 142.074227574 ChemAxon smiles CC1=NCCC(N1)C(O)=O ChemAxon formula C6H10N2O2 ChemAxon inchi InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10) ChemAxon inchikey WQXNXVUDBPYKBA-UHFFFAOYSA-N ChemAxon polar_surface_area 61.69 ChemAxon refractivity 35.04 ChemAxon polarizability 14.04 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 28988 Specdb::MsMs 28989 Specdb::MsMs 28990 Specdb::MsMs 35546 Specdb::MsMs 35547 Specdb::MsMs 35548 126041 670 C06231 27592 ECTOINE Ectoine Proline/betaine transporter P0C0L7 PROP_ECOLI proP http://ecmdb.ca/proteins/P0C0L7.xml