iron(III) dicitrate

Properties Image MNX_ID MNXM1107802 reference metacycM:FERRIC-CITRATE-COMPLEX formula C12H16FeO14 global charge -6 mol weight 440.091 InChIKey JWJVMHYDOLSAAG-UHFFFAOYSA-N InChI InChI=1S/2C6H8O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-5,13H,1-2H2;/q2*-6;+6 SMILES [O-]C1CC2(O)CC([O-])O[Fe]34(O1)(OC([O-])CC(O)(CC([O-])O3)C([O-])O4)OC2[O-] MNX internals InChI (mnx) InChI=1/2C6H8O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-5,13H,1-2H2;/q2*-6;+6 SMILES (mnx) [CH2:14]([CH:16]([O-:20])[O-:21])[C:19]([CH2:15][CH:17]([O-:22])[O-:23])([CH:18]([O-:24])[O-:25])[OH:26].[CH2:1]([CH:3]([O-:7])[O-:8])[C:6]([CH2:2][CH:4]([O-:9])[O-:10])([CH:5]([O-:11])[O-:12])[OH:13].[Fe+6:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0