1.0 2011-09-21 00:36:31 UTC 2015-07-21 06:57:55 UTC FDB023895 Selenocystathionine Selenocystathionine is formed from Selenohomocysteine by the enzyme cystathionine beta-synthase (EC 4.2.1.22), as a by-product of cystathionine synthesis. Selenocystathionine is consumed in the diet, and is one of the main compounds present in plants that tend to hyperaccumulate selenium and use it as an elemental plant defense mechanism. (PMID: 10026151, 6456763, 16920881) [HMDB] 2-amino-4-((2-amino-2-carboxyethyl)seleno)-Butanoate 2-amino-4-((2-amino-2-carboxyethyl)seleno)-Butanoic acid 2-Amino-4-((2-amino-2-carboxyethyl)seleno)butanoate 2-Amino-4-((2-amino-2-carboxyethyl)seleno)butanoic acid 2-amino-4-[(2-amino-2-Carboxyethyl)selanyl]butyrate 2-amino-4-[(2-amino-2-Carboxyethyl)selanyl]butyric acid Selenate Selenic acid Selenocystathionine Selenocystathionines C7H14N2O4Se 269.16 270.011878774 2-amino-4-[(2-amino-2-carboxyethyl)selanyl]butanoic acid selenocystathionine 2196-58-9 NC(CC[Se]CC(N)C(O)=O)C(O)=O InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ZNWYDQPOUQRDLY-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 Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Selenoethers Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organoselenium compound Primary aliphatic amine Primary amine Selenoether cystathionines selenoamino acid Solid logp -3.99 ALOGPS logs -0.49 ALOGPS solubility 8.68e+01 g/l ALOGPS logp -7.4 ChemAxon pka_strongest_acidic 1.2 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac 2-amino-4-[(2-amino-2-carboxyethyl)selanyl]butanoic acid ChemAxon average_mass 269.16 ChemAxon mono_mass 270.011878774 ChemAxon smiles NC(CC[Se]CC(N)C(O)=O)C(O)=O ChemAxon formula C7H14N2O4Se ChemAxon inchi InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ChemAxon inchikey ZNWYDQPOUQRDLY-UHFFFAOYSA-N ChemAxon polar_surface_area 126.64 ChemAxon refractivity 56.89 ChemAxon polarizability 21.05 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Selenoamino Acid Metabolism SMP00029 map00450 Specdb::CMs 3091 Specdb::CMs 39004 Specdb::MsMs 25370 Specdb::MsMs 25371 Specdb::MsMs 25372 Specdb::MsMs 31928 Specdb::MsMs 31929 Specdb::MsMs 31930 Specdb::NmrOneD 255968 Specdb::NmrOneD 255969 Specdb::NmrOneD 255970 Specdb::NmrOneD 255971 Specdb::NmrOneD 255972 Specdb::NmrOneD 255973 Specdb::NmrOneD 255974 Specdb::NmrOneD 255975 Specdb::NmrOneD 255976 Specdb::NmrOneD 255977 Specdb::NmrOneD 255978 Specdb::NmrOneD 255979 Specdb::NmrOneD 255980 Specdb::NmrOneD 255981 Specdb::NmrOneD 255982 Specdb::NmrOneD 255983 Specdb::NmrOneD 255984 Specdb::NmrOneD 255985 Specdb::NmrOneD 255986 Specdb::NmrOneD 255987 HMDB06343 18170 #<Reference:0x000055ce3269f180> #<Reference:0x000055ce3269ede8> #<Reference:0x000055ce3269eb90> 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 Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 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 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 Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 O43252 PAPSS1 Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2 O95340 PAPSS2 Cystathionine gamma-lyase P32929 CTH