Marvin 09271115232D 40 40 0 0 1 0 999 V2000 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -4.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -2.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 C 0 0 2 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 -2.1434 -2.0625 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -1.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 1 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 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 0.0000 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 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 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 2.1434 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1599 -0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 13 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 19 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 2 0 0 0 0 1 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 M END > CHEBI:62931 > 1,5-bis(diphospho)-1D-myo-inositol 3,4,6-trisphosphate > A 1D-myo-inositol bis(diphosphate) trisphosphate having the three phospho groups located at positions 3, 4 and 6 and the two diphospho groups at positions 1 and 5. > 3 > 1,5-(PP)2-IP3; (1S,2S,3R,4R,5S,6R)-4-hydroxy-2,5,6-tris(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] > 3,4,6-tris-O-1D-phosphono-myo-inositol 1,5-bis[trihydrogen (diphosphate)] > C6H19O27P7 > 740.01520 > 739.82770 > 0 > 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)OP(O)(O)=O > InChI=1S/C6H19O27P7/c7-1-2(27-34(8,9)10)4(28-35(11,12)13)6(31-40(25,26)33-38(20,21)22)5(29-36(14,15)16)3(1)30-39(23,24)32-37(17,18)19/h1-7H,(H,23,24)(H,25,26)(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+/m1/s1 > UILZAHJLPZIRKP-YORTWTKJSA-N $$$$