1.0 2011-09-21 00:19:58 UTC 2015-07-21 06:57:22 UTC FDB022810 Homolanthionine Homolanthionine is formed from homocysteine and homoserine by a condensation analogous to that normally leading to cystathionine. The only other known occurrence of homolanthionine in nature is in a methionine-requiring mutant strain of Escherichia coli. Patients with homocystinuria excrete small amounts of L-homolanthionine in their urine. [HMDB] L-Homolanthionine C8H16N2O6S 268.287 268.072906944 2-amino-4-(3-amino-3-carboxypropanesulfonyl)butanoic acid homolanthionine 31982-10-2 NC(CCS(=O)(=O)CCC(N)C(O)=O)C(O)=O InChI=1S/C8H16N2O6S/c9-5(7(11)12)1-3-17(15,16)4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) CMACTJDDABKNPX-UHFFFAOYSA-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 acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Sulfones Thia fatty acids Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sulfone Sulfonyl Thia fatty acid Solid logp -3.98 ALOGPS logs -0.95 ALOGPS solubility 3.04e+01 g/l ALOGPS logp -7.6 ChemAxon pka_strongest_acidic 1.23 ChemAxon pka_strongest_basic 8.99 ChemAxon iupac 2-amino-4-(3-amino-3-carboxypropanesulfonyl)butanoic acid ChemAxon average_mass 268.287 ChemAxon mono_mass 268.072906944 ChemAxon smiles NC(CCS(=O)(=O)CCC(N)C(O)=O)C(O)=O ChemAxon formula C8H16N2O6S ChemAxon inchi InChI=1S/C8H16N2O6S/c9-5(7(11)12)1-3-17(15,16)4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ChemAxon inchikey CMACTJDDABKNPX-UHFFFAOYSA-N ChemAxon polar_surface_area 160.78 ChemAxon refractivity 57.66 ChemAxon polarizability 25.19 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23551 Specdb::CMs 38235 Specdb::CMs 164637 Specdb::MsMs 318178 Specdb::MsMs 318179 Specdb::MsMs 318180 Specdb::MsMs 364882 Specdb::MsMs 364883 Specdb::MsMs 364884 Specdb::MsMs 2674483 Specdb::MsMs 2674484 Specdb::MsMs 2674485 Specdb::MsMs 3034349 Specdb::MsMs 3034350 Specdb::MsMs 3034351 Specdb::NmrOneD 103038 Specdb::NmrOneD 103039 Specdb::NmrOneD 103040 Specdb::NmrOneD 103041 Specdb::NmrOneD 103042 Specdb::NmrOneD 103043 Specdb::NmrOneD 103044 Specdb::NmrOneD 103045 Specdb::NmrOneD 103046 Specdb::NmrOneD 103047 Specdb::NmrOneD 103048 Specdb::NmrOneD 103049 Specdb::NmrOneD 103050 Specdb::NmrOneD 103051 Specdb::NmrOneD 103052 Specdb::NmrOneD 103053 Specdb::NmrOneD 103054 Specdb::NmrOneD 103055 Specdb::NmrOneD 103056 Specdb::NmrOneD 103057 HMDB02034 #<Reference:0x00005636d14d2bd8> #<Reference:0x00005636d14d2a20> #<Reference:0x00005636d14d2818> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columba 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 Animal Capra aegagrus hircus 9925 Domestic pig Type 1 Animal Sus scrofa domesticus 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus cuniculus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus hemionus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823