Structure #1 Marvin 09271111092D 44 44 0 0 0 0 999 V2000 -0.9396 -0.5186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9396 0.3064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2251 -0.9311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2251 0.7189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4894 -0.5186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4894 0.3064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2037 -0.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 -0.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0616 -0.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2038 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 1.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 1.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 1.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 1.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 2.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 0.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3685 -0.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 0.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 -1.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 -2.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 -2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -0.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3685 -2.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3684 0.3064 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 -0.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -1.7561 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.6541 -2.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 -2.1686 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 -2.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 1.9563 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 2.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2038 1.5438 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 1.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 -0.5186 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 -1.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 -0.5187 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 -1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 2.7813 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 3.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2038 3.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 2.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 1 0 0 0 1 2 1 0 0 0 0 2 18 1 1 0 0 0 1 3 1 0 0 0 0 3 21 1 6 0 0 0 2 4 1 0 0 0 0 4 15 1 1 0 0 0 5 3 1 0 0 0 0 5 7 1 1 0 0 0 4 6 1 0 0 0 0 6 5 1 0 0 0 0 6 12 1 6 0 0 0 7 37 1 0 0 0 0 37 8 2 0 0 0 0 37 9 1 0 0 0 0 9 39 1 0 0 0 0 39 10 2 0 0 0 0 39 11 1 0 0 0 0 12 35 1 0 0 0 0 35 13 2 0 0 0 0 35 14 1 0 0 0 0 15 33 1 0 0 0 0 33 16 1 0 0 0 0 33 17 2 0 0 0 0 18 27 1 0 0 0 0 27 19 1 0 0 0 0 27 20 2 0 0 0 0 21 31 1 0 0 0 0 31 22 1 0 0 0 0 31 23 2 0 0 0 0 29 24 1 0 0 0 0 25 29 1 0 0 0 0 29 26 2 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 14 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 M END > CHEBI:52965 > 5,6-bis(diphospho)-1D-myo-inositol tetrakisphosphate > A 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 5 and 6. > 3 > CHEBI:53068 > bis-diphosphoinositol tetrakisphosphate > 1,2,3,4-tetrakis-O-phosphono-1D-myo-inositol 5,6-bis[trihydrogen (diphosphate)] > C6H20O30P8 > 819.99510 > 819.79404 > 0 > OP(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)OP(O)(O)=O)[C@@H]1OP(O)(O)=O > InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/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+/m1/s1 > GXPFHIDIIMSLOF-YORTWTKJSA-N $$$$