Marvin 10051011082D 32 32 0 0 0 0 999 V2000 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 7 1 1 0 0 0 1 2 1 0 0 0 0 2 8 1 1 0 0 0 3 1 1 0 0 0 0 3 20 1 1 0 0 0 4 10 1 1 0 0 0 4 5 1 0 0 0 0 3 5 1 0 0 0 0 5 17 1 6 0 0 0 6 4 1 0 0 0 0 2 6 1 0 0 0 0 6 9 1 6 0 0 0 8 24 1 0 0 0 0 9 22 1 0 0 0 0 10 28 1 0 0 0 0 24 11 1 0 0 0 0 24 12 2 0 0 0 0 22 13 1 0 0 0 0 22 14 2 0 0 0 0 28 15 2 0 0 0 0 28 16 1 0 0 0 0 26 17 1 0 0 0 0 18 26 1 0 0 0 0 26 19 2 0 0 0 0 31 20 1 0 0 0 0 31 21 2 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 8 11 -1 13 -1 16 -1 18 -1 23 -1 25 -1 27 -1 29 -1 M CHG 2 30 -1 32 -1 M END > CHEBI:57733 > myo-inositol 1,3,4,5,6-pentakisphosphate(10-) > The anion obtained from global deprotonation of the phosphate OH groups of myo-inositol 1,3,4,5,6-pentakisphosphate; major species at pH 7.3. > 3 > myo-inositol 1,3,4,5,6-pentakisphosphate decaanion; 1D-myo-inositol 1,3,4,5,6-pentakisphosphate > myo-inositol 1,3,4,5,6-pentakis(phosphate) > C6H7O21P5 > 569.97600 > 569.82228 > -10 > O[C@@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O > InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-10/t1-,2+,3-,4-,5+,6+ > CTPQAXVNYGZUAJ-KXXVROSKSA-D > 7685231 $$$$