Mrv0541 09251416472D 44 44 0 0 0 0 999 V2000 8.0712 -0.6475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0712 0.1775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7857 -1.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7857 0.5900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5002 -0.6475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5002 0.1775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2145 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 0.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6434 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2146 0.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7857 1.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3569 1.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0713 2.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3569 0.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6423 -0.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 0.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7856 -1.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2145 -1.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5001 -3.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0712 -2.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3569 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6423 -2.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 0.1775 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3569 -1.8849 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.3567 -2.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5001 -2.2974 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.2145 -2.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0713 1.8274 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.2146 1.4149 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.2146 2.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9290 -0.6475 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9290 -1.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7856 -3.5349 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.7856 -4.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0712 -3.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5001 -3.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 1.8274 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 1.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 2.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0713 1.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 1.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 1 0 0 0 1 2 1 0 0 0 0 2 16 1 1 0 0 0 1 3 1 0 0 0 0 3 19 1 6 0 0 0 2 4 1 0 0 0 0 4 13 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 10 1 6 0 0 0 7 34 1 0 0 0 0 34 8 2 0 0 0 0 34 9 1 0 0 0 0 10 32 1 0 0 0 0 32 11 2 0 0 0 0 32 12 1 0 0 0 0 13 31 1 0 0 0 0 31 14 1 0 0 0 0 31 15 2 0 0 0 0 16 25 1 0 0 0 0 25 17 1 0 0 0 0 25 18 2 0 0 0 0 19 29 1 0 0 0 0 29 20 2 0 0 0 0 29 21 1 0 0 0 0 27 22 1 0 0 0 0 23 27 1 0 0 0 0 27 24 2 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 21 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 14 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 31 43 1 0 0 0 0 40 44 1 0 0 0 0 M END > CHEBI:83154 > 1,4-bis(diphospho)-1D-myo-inositol tetrakisphosphate > A 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 1 and 4. > 3 > Bis(1,4)-diphosphoinositol tetrakisphosphate; (1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrakis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)] > 2,3,5,6-tetrakis-O-phosphono-1D-myo-inositol 1,4-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)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(=O)OP(O)(O)=O > InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)6(34-44(27,28)36-42(22,23)24)4(32-40(16,17)18)3(31-39(13,14)15)5(1)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 > JPRSGEHICBPFDB-RTPHHQFDSA-N > 148077-19-4 > 148077-19-4 $$$$