4-diphospho-1D-myo-inositol pentakisphosphate

Properties Image MNX_ID MNXM37435 reference chebi:53064 formula C6H19O27P7 global charge 0 mol weight 740.009 InChIKey UPHPWXPNZIOZJL-CNWJWELYSA-N InChI InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(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 O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O MNX internals InChI (mnx) InChI=1/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(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:27][P:34]([OH:7])([OH:8])=[O:9])[C@H:2]([O:28][P:35]([OH:10])([OH:11])=[O:12])[C@@H:4]([O:30][P:37]([OH:16])([OH:17])=[O:18])[C@H:6]([O:32][P:40]([OH:25])(=[O:26])[O:33][P:39]([OH:22])([OH:23])=[O:24])[C@@H:5]([O:31][P:38]([OH:19])([OH:20])=[O:21])[C@H:3]1[O:29][P:36]([OH:13])([OH:14])=[O:15]

Parent-child relations graph

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