2.02012-08-15 08:51:31 -06002015-09-13 12:56:17 -0600ECMDB21649M2MDB002043CystathionineAllocystathionine 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]butanoate2-Amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid2-Amino-4-[(2-amino-2-carboxyethyl)sulphanyl]butanoate2-Amino-4-[(2-amino-2-carboxyethyl)sulphanyl]butanoic acidA-Amino-g-(2-amino-2-carboxyethylmercapto)-ButyrateA-Amino-g-(2-amino-2-carboxyethylmercapto)-Butyric acidalpha-amino-gamma-(2-amino-2-carboxyethylmercapto)-ButyrateAlpha-amino-gamma-(2-amino-2-carboxyethylmercapto)-Butyric acidCystathionineDL-AllocystathionineDL-CystathionineDL-S-(2-amino-2-carboxyethyl)-HomocysteineS-(2-Amino-2-carboxyethyl)homocysteineα-amino-γ-(2-amino-2-carboxyethylmercapto)-Butyrateα-amino-γ-(2-amino-2-carboxyethylmercapto)-Butyric acidC7H14N2O4S222.262222.067427636(2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acidL-cystathionine535-34-2NC(CCSCC(N)C(O)=O)C(O)=OInChI=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-NSolidCytoplasmlogp-4.01logs-1.11solubility1.73e+01 g/lmelting_point281oClogp-5.8pka_strongest_acidic1.79pka_strongest_basic9.66iupac(2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acidaverage_mass222.262mono_mass222.067427636smilesNC(CCSCC(N)C(O)=O)C(O)=OformulaC7H14N2O4SinchiInChI=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)inchikeyILRYLPWNYFXEMH-UHFFFAOYSA-Npolar_surface_area126.64refractivity51.57polarizability22.02rotatable_bond_count7acceptor_count6donor_count4physiological_charge0formal_charge0Specdb::CMs322Specdb::CMs1814Specdb::CMs1842Specdb::CMs1869Specdb::CMs2709Specdb::CMs30761Specdb::CMs30995Specdb::CMs30996Specdb::CMs30997Specdb::CMs37294Specdb::CMs173698Specdb::CMs1050007Specdb::CMs1050008Specdb::CMs1050010Specdb::CMs1050012Specdb::CMs1050013Specdb::CMs1050015Specdb::CMs1050017Specdb::CMs1050019Specdb::CMs1050021Specdb::CMs1050023Specdb::CMs1050024Specdb::CMs1050026Specdb::CMs1050028Specdb::CMs1050030Specdb::NmrOneD1084Specdb::NmrOneD4806Specdb::NmrOneD4807Specdb::NmrOneD142190Specdb::NmrOneD142191Specdb::NmrOneD142192Specdb::NmrOneD142193Specdb::NmrOneD142194Specdb::NmrOneD142195Specdb::NmrOneD142196Specdb::NmrOneD142197Specdb::NmrOneD142198Specdb::NmrOneD142199Specdb::NmrOneD142200Specdb::NmrOneD142201Specdb::NmrOneD142202Specdb::NmrOneD142203Specdb::NmrOneD142204Specdb::NmrOneD142205Specdb::NmrOneD142206Specdb::NmrOneD142207Specdb::NmrOneD142208Specdb::NmrOneD142209Specdb::MsMs156Specdb::MsMs157Specdb::MsMs158Specdb::MsMs2862Specdb::MsMs2863Specdb::MsMs2864Specdb::MsMs2865Specdb::MsMs2866Specdb::MsMs2867Specdb::MsMs2868Specdb::MsMs2870Specdb::MsMs2871Specdb::MsMs2872Specdb::MsMs178707Specdb::MsMs178708Specdb::MsMs178709Specdb::MsMs181026Specdb::MsMs181027Specdb::MsMs181028Specdb::MsMs439052Specdb::MsMs445895Specdb::MsMs445896Specdb::MsMs445897Specdb::MsMs445898Specdb::MsMs445899Specdb::NmrTwoD1142HMDB00455834811C0054217755Cystathioninehttp://hmdb.ca/system/metabolites/msds/000/000/374/original/HMDB00455.pdf?1358463116Cystathionine gamma-synthaseP00935METB_ECOLImetBhttp://ecmdb.ca/proteins/P00935.xmlCystathionine beta-lyase metCP06721METC_ECOLImetChttp://ecmdb.ca/proteins/P06721.xmlProtein malYP23256MALY_ECOLImalYhttp://ecmdb.ca/proteins/P23256.xmlCystathionine + Water <> L-Homocysteine + Ammonia + Pyruvic acidR01285Cystathionine + Succinic acid <> O-Succinyl-L-homoserine + L-CysteineR02508