calcium glucoheptonate

Properties Image MNX_ID MNXM103416 reference chebi:3314 formula C14H26CaO16 global charge 0 mol weight 490.424 InChIKey FATUQANACHZLRT-KMRXSBRUSA-L InChI InChI=1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6?;/m11./s1 SMILES O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2] MNX internals InChI (mnx) InChI=1/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/t2*2-,3-,4+,5-,6?;/m11./s1 SMILES (mnx) [CH2:16]([C@H:17]([C@H:18]([C@@H:19]([C@H:20]([CH:21]([C:22](=[O:29])[OH:30])[OH:28])[OH:27])[OH:26])[OH:25])[OH:24])[OH:23].[CH2:1]([C@H:2]([C@H:3]([C@@H:4]([C@H:5]([CH:6]([C:7](=[O:14])[OH:15])[OH:13])[OH:12])[OH:11])[OH:10])[OH:9])[OH:8].[Ca+2:31]

Parent-child relations graph

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