Ferric citrate hydrate (JAN)

Properties Image MNX_ID MNXM156037 reference keggD:D09993 formula C6H11FeO10 global charge 0 mol weight 298.989 InChIKey XIZOGMFSXFMCDT-UHFFFAOYSA-K InChI InChI=1S/C6H8O7.Fe.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;3*1H2/q;+3;;;/p-3 SMILES O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Fe+3] MNX internals InChI (mnx) InChI=1/C6H8O7.Fe.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;3*1H2/q;+3;;; SMILES (mnx) [CH2:1]([C:3](=[O:7])[OH:8])[C:6]([CH2:2][C:4](=[O:9])[OH:10])([C:5](=[O:11])[OH:12])[OH:13].[Fe+3:14].[OH2:15].[OH2:16].[OH2:17]

Parent-child relations graph

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