D-myo-inositol (3,6)-bisphosphate

Properties Image MNX_ID MNXM91165 reference metacycM:CPD-11930 formula C6H10O12P2 global charge -4 mol weight 336.082 InChIKey PELZSPZCXGTUMR-ADOSBGCESA-J InChI InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5+,6+/m0/s1 SMILES O=P([O-])([O-])O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m0/s1 SMILES (mnx) [C@H:1]1([OH:7])[C@H:2]([OH:8])[C@@H:6]([O:18][P:20]([OH:14])([OH:15])=[O:16])[C@H:4]([OH:10])[C@H:3]([OH:9])[C@@H:5]1[O:17][P:19]([OH:11])([OH:12])=[O:13]

Parent-child relations graph

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