Fe(III)dicitrate

Properties Image MNX_ID MNXM1107801 reference biggM:fe3dcit formula C12H22FeO14 global charge 0 mol weight 446.139 InChIKey ISOHCBXAFHMIHK-UHFFFAOYSA-N InChI InChI=1S/2C6H11O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-5,7,9,11,13H,1-2H2;/q2*-3;+6 SMILES OC1CC2(O)CC(O)O[Fe]34(O1)(OC(O)CC(O)(CC(O)O3)C(O)O4)OC2O MNX internals InChI (mnx) InChI=1/2C6H11O7.Fe/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*3-5,7,9,11,13H,1-2H2;/q2*-3;+6/t2*3?,4?,5?,6?; SMILES (mnx) [CH2:14]([CH:16]([OH:20])[O-:21])[C:19]([CH2:15][CH:17]([OH:22])[O-:23])([CH:18]([OH:24])[O-:25])[OH:26].[CH2:1]([CH:3]([OH:7])[O-:8])[C:6]([CH2:2][CH:4]([OH:9])[O-:10])([CH:5]([OH:11])[O-:12])[OH:13].[Fe+6:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 12