2.0 2012-08-15 08:51:31 -0600 2015-09-13 12:56:17 -0600 ECMDB21649 M2MDB002043 Cystathionine Allocystathionine is a product of enzyme cystathionine synthetase [EC 2.5.1.48] which converts homocysteine to allocystathionine in the sulfur metabolism pathway. It is also the substrate of enzyme cystathionine beta-lyase [4.4.1.8] in the same pathway. (KEGG); Cystathionine is an intermediate in the synthesis of cysteine. 2-Amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoate 2-Amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid 2-Amino-4-[(2-amino-2-carboxyethyl)sulphanyl]butanoate 2-Amino-4-[(2-amino-2-carboxyethyl)sulphanyl]butanoic acid A-Amino-g-(2-amino-2-carboxyethylmercapto)-Butyrate A-Amino-g-(2-amino-2-carboxyethylmercapto)-Butyric acid alpha-amino-gamma-(2-amino-2-carboxyethylmercapto)-Butyrate Alpha-amino-gamma-(2-amino-2-carboxyethylmercapto)-Butyric acid Cystathionine DL-Allocystathionine DL-Cystathionine DL-S-(2-amino-2-carboxyethyl)-Homocysteine S-(2-Amino-2-carboxyethyl)homocysteine α-amino-γ-(2-amino-2-carboxyethylmercapto)-Butyrate α-amino-γ-(2-amino-2-carboxyethylmercapto)-Butyric acid C7H14N2O4S 222.262 222.067427636 (2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid L-cystathionine 535-34-2 NC(CCSCC(N)C(O)=O)C(O)=O InChI=1S/C7H14N2O4S/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) ILRYLPWNYFXEMH-UHFFFAOYSA-N Solid Cytoplasm logp -4.01 ALOGPS logs -1.11 ALOGPS solubility 1.73e+01 g/l ALOGPS melting_point 281oC logp -5.8 ChemAxon pka_strongest_acidic 1.79 ChemAxon pka_strongest_basic 9.66 ChemAxon iupac (2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid ChemAxon average_mass 222.262 ChemAxon mono_mass 222.067427636 ChemAxon smiles NC(CCSCC(N)C(O)=O)C(O)=O ChemAxon formula C7H14N2O4S ChemAxon inchi InChI=1S/C7H14N2O4S/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 ILRYLPWNYFXEMH-UHFFFAOYSA-N ChemAxon polar_surface_area 126.64 ChemAxon refractivity 51.57 ChemAxon polarizability 22.02 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 322 Specdb::CMs 1814 Specdb::CMs 1842 Specdb::CMs 1869 Specdb::CMs 2709 Specdb::CMs 30761 Specdb::CMs 30995 Specdb::CMs 30996 Specdb::CMs 30997 Specdb::CMs 37294 Specdb::CMs 173698 Specdb::CMs 1050007 Specdb::CMs 1050008 Specdb::CMs 1050010 Specdb::CMs 1050012 Specdb::CMs 1050013 Specdb::CMs 1050015 Specdb::CMs 1050017 Specdb::CMs 1050019 Specdb::CMs 1050021 Specdb::CMs 1050023 Specdb::CMs 1050024 Specdb::CMs 1050026 Specdb::CMs 1050028 Specdb::CMs 1050030 Specdb::NmrOneD 1084 Specdb::NmrOneD 4806 Specdb::NmrOneD 4807 Specdb::NmrOneD 142190 Specdb::NmrOneD 142191 Specdb::NmrOneD 142192 Specdb::NmrOneD 142193 Specdb::NmrOneD 142194 Specdb::NmrOneD 142195 Specdb::NmrOneD 142196 Specdb::NmrOneD 142197 Specdb::NmrOneD 142198 Specdb::NmrOneD 142199 Specdb::NmrOneD 142200 Specdb::NmrOneD 142201 Specdb::NmrOneD 142202 Specdb::NmrOneD 142203 Specdb::NmrOneD 142204 Specdb::NmrOneD 142205 Specdb::NmrOneD 142206 Specdb::NmrOneD 142207 Specdb::NmrOneD 142208 Specdb::NmrOneD 142209 Specdb::MsMs 156 Specdb::MsMs 157 Specdb::MsMs 158 Specdb::MsMs 2862 Specdb::MsMs 2863 Specdb::MsMs 2864 Specdb::MsMs 2865 Specdb::MsMs 2866 Specdb::MsMs 2867 Specdb::MsMs 2868 Specdb::MsMs 2870 Specdb::MsMs 2871 Specdb::MsMs 2872 Specdb::MsMs 178707 Specdb::MsMs 178708 Specdb::MsMs 178709 Specdb::MsMs 181026 Specdb::MsMs 181027 Specdb::MsMs 181028 Specdb::MsMs 439052 Specdb::MsMs 445895 Specdb::MsMs 445896 Specdb::MsMs 445897 Specdb::MsMs 445898 Specdb::MsMs 445899 Specdb::NmrTwoD 1142 HMDB00455 834 811 C00542 17755 Cystathionine http://hmdb.ca/system/metabolites/msds/000/000/374/original/HMDB00455.pdf?1358463116 Cystathionine gamma-synthase P00935 METB_ECOLI metB http://ecmdb.ca/proteins/P00935.xml Cystathionine beta-lyase metC P06721 METC_ECOLI metC http://ecmdb.ca/proteins/P06721.xml Protein malY P23256 MALY_ECOLI malY http://ecmdb.ca/proteins/P23256.xml Cystathionine + Water <> L-Homocysteine + Ammonia + Pyruvic acid R01285 Cystathionine + Succinic acid <> O-Succinyl-L-homoserine + L-Cysteine R02508