Calcium gluconate hydrate (JP18)

Properties Image MNX_ID MNXM153083 reference keggD:D05463 formula C12H24CaO15 global charge 0 mol weight 448.387 InChIKey XLNFVCRGJZBQGX-XRDLMGPZSA-L InChI InChI=1S/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1 SMILES O.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2] MNX internals InChI (mnx) InChI=1/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/t2*2-,3-,4+,5-;;/m11../s1 SMILES (mnx) [CH2:14]([C@H:15]([C@H:16]([C@@H:17]([C@H:18]([C:19](=[O:25])[OH:26])[OH:24])[OH:23])[OH:22])[OH:21])[OH:20].[CH2:1]([C@H:2]([C@H:3]([C@@H:4]([C@H:5]([C:6](=[O:12])[OH:13])[OH:11])[OH:10])[OH:9])[OH:8])[OH:7].[Ca+2:27].[OH2:28]

Parent-child relations graph

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