2.0 2012-07-30 14:54:58 -0600 2015-06-03 17:20:54 -0600 ECMDB21213 M2MDB001621 Fe(III)dicitrate Fe(iii)dicitrate is the complex formed between iron(III) and citrate. It is a substrate for the E. coli transport protein known as FecA. FecA is the outer membrane receptor protein in the Fe3+ dicitrate transport system. Fe(III)dicitrate Fe(III)dicitric acid Ferric dicitrate complex Ferric dicitric acid complex Iron (III) dicitrate Iron (III) dicitric acid Iron dicitrate Iron dicitric acid Iron(III)dicitrate Iron(III)dicitric acid {3-[(R)-hydroxy(hydroxy-kappaO)methyl]pentane-1,1,3,5,5-pentolato(3)-kappa2O1,O5}{3-[(S)-hydroxy(hydroxy-kappaO)methyl]pentane-1,1,3,5,5-pentolato(3-)-kappa2O1,O5}iron C12H28FeO14 452.187 452.082847737 bis(3-(dihydroxymethyl)pentane-1,1,3,5,5-pentol) iron bis(3-(dihydroxymethyl)pentane-1,1,3,5,5-pentol) iron [Fe].OC(O)CC(O)(CC(O)O)C(O)O.OC(O)CC(O)(CC(O)O)C(O)O InChI=1S/2C6H14O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-5,7-13H,1-2H2; BWHIDISYXGEZJU-UHFFFAOYSA-N Extra-organism Periplasm logp -3.2 ChemAxon pka_strongest_acidic 11.13 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac bis(3-(dihydroxymethyl)pentane-1,1,3,5,5-pentol) iron ChemAxon average_mass 452.187 ChemAxon mono_mass 452.082847737 ChemAxon smiles [Fe].OC(O)CC(O)(CC(O)O)C(O)O.OC(O)CC(O)(CC(O)O)C(O)O ChemAxon formula C12H28FeO14 ChemAxon inchi InChI=1S/2C6H14O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-5,7-13H,1-2H2; ChemAxon inchikey BWHIDISYXGEZJU-UHFFFAOYSA-N ChemAxon polar_surface_area 141.61 ChemAxon refractivity 38.69 ChemAxon polarizability 17.47 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 7 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1086359 Specdb::NmrOneD 292955 Specdb::NmrOneD 292956 Specdb::NmrOneD 292957 Specdb::NmrOneD 292958 Specdb::NmrOneD 292959 Specdb::NmrOneD 292960 Specdb::NmrOneD 292961 Specdb::NmrOneD 292962 Specdb::NmrOneD 292963 Specdb::NmrOneD 292964 Specdb::NmrOneD 292965 Specdb::NmrOneD 292966 Specdb::NmrOneD 292967 Specdb::NmrOneD 292968 Specdb::NmrOneD 292969 Specdb::NmrOneD 292970 Specdb::NmrOneD 292971 Specdb::NmrOneD 292972 Specdb::NmrOneD 292973 Specdb::NmrOneD 292974 Specdb::MsMs 24794 Specdb::MsMs 24795 Specdb::MsMs 24796 Specdb::MsMs 31352 Specdb::MsMs 31353 Specdb::MsMs 31354 440954 389781 C06229 4991 FERRIC-CITRATE-COMPLEX Fe(3+) dicitrate transport ATP-binding protein fecE P15031 FECE_ECOLI fecE http://ecmdb.ca/proteins/P15031.xml Fe(3+) dicitrate transport system permease protein fecD P15029 FECD_ECOLI fecD http://ecmdb.ca/proteins/P15029.xml Fe(3+) dicitrate transport system permease protein fecC P15030 FECC_ECOLI fecC http://ecmdb.ca/proteins/P15030.xml Fe(3+) dicitrate-binding periplasmic protein P15028 FECB_ECOLI fecB http://ecmdb.ca/proteins/P15028.xml Fe(3+) dicitrate transport ATP-binding protein fecE P15031 FECE_ECOLI fecE http://ecmdb.ca/proteins/P15031.xml Fe(3+) dicitrate transport system permease protein fecD P15029 FECD_ECOLI fecD http://ecmdb.ca/proteins/P15029.xml Fe(3+) dicitrate transport system permease protein fecC P15030 FECC_ECOLI fecC http://ecmdb.ca/proteins/P15030.xml Fe(3+) dicitrate transport protein fecA P13036 FECA_ECOLI fecA http://ecmdb.ca/proteins/P13036.xml Biopolymer transport protein exbB P0ABU7 EXBB_ECOLI exbB http://ecmdb.ca/proteins/P0ABU7.xml Fe(3+) dicitrate-binding periplasmic protein P15028 FECB_ECOLI fecB http://ecmdb.ca/proteins/P15028.xml Biopolymer transport protein exbD P0ABV2 EXBD_ECOLI exbD http://ecmdb.ca/proteins/P0ABV2.xml Protein tonB P02929 TONB_ECOLI tonB http://ecmdb.ca/proteins/P02929.xml Adenosine triphosphate + Water + Fe(III)dicitrate > ADP +2 Citric acid + Fe3+ + Hydrogen ion + Phosphate Adenosine triphosphate + Fe(III)dicitrate + Water > ADP + Phosphate + Fe(III)dicitrate + Hydrogen ion ABC-9-RXN Adenosine triphosphate + Fe(III)dicitrate + Water > ADP + Phosphate + Fe(III)dicitrate + Hydrogen ion ABC-9-RXN