5-diphospho-1D-myo-inositol 1,3,4,6-tetrakisphosphate

Properties Image MNX_ID MNXM14863 reference chebi:142939 formula C6H7O24P6 global charge -11 mol weight 648.942 InChIKey FFZGWHDHUIRNPY-KXXVROSKSA-C InChI InChI=1S/C6H18O24P6/c7-1-2(25-31(8,9)10)4(27-33(14,15)16)6(29-36(23,24)30-35(20,21)22)5(28-34(17,18)19)3(1)26-32(11,12)13/h1-7H,(H,23,24)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-11/t1-,2+,3-,4-,5+,6+ SMILES O=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1OP(=O)([O-])[O-] MNX internals InChI (mnx) InChI=1/C6H18O24P6/c7-1-2(25-31(8,9)10)4(27-33(14,15)16)6(29-36(23,24)30-35(20,21)22)5(28-34(17,18)19)3(1)26-32(11,12)13/h1-7H,(H,23,24)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+ SMILES (mnx) [C@H:1]1([OH:7])[C@@H:2]([O:25][P:31]([OH:8])([OH:9])=[O:10])[C@H:4]([O:27][P:33]([OH:14])([OH:15])=[O:16])[C@@H:6]([O:29][P:36]([OH:23])(=[O:24])[O:30][P:35]([OH:20])([OH:21])=[O:22])[C@H:5]([O:28][P:34]([OH:17])([OH:18])=[O:19])[C@H:3]1[O:26][P:32]([OH:11])([OH:12])=[O:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1