3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate

Properties Image MNX_ID MNXM8094 reference chebi:140372 formula C6H7O30P8 global charge -13 mol weight 806.884 InChIKey HHQOOERQSFJGEP-ZSIQDKGESA-A InChI InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/p-13/t1-,2-,3-,4-,5+,6-/m0/s1 SMILES O=P([O-])([O-])O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])OP(=O)([O-])O)[C@H]1OP(=O)([O-])[O-] MNX internals InChI (mnx) InChI=1/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m0/s1 SMILES (mnx) [C@H:1]1([O:29][P:37]([OH:7])([OH:8])=[O:9])[C@H:2]([O:30][P:38]([OH:10])([OH:11])=[O:12])[C@@H:5]([O:33][P:43]([OH:25])(=[O:26])[O:35][P:41]([OH:19])([OH:20])=[O:21])[C@H:4]([O:32][P:40]([OH:16])([OH:17])=[O:18])[C@@H:6]([O:34][P:44]([OH:27])(=[O:28])[O:36][P:42]([OH:22])([OH:23])=[O:24])[C@H:3]1[O:31][P:39]([OH:13])([OH:14])=[O:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1