Marvin 01230817132D 32 32 0 0 1 0 999 V2000 12.8245 -3.2885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1100 -3.7010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1100 -4.5260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5390 -4.5260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8245 -4.9385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5390 -3.7010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2534 -3.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8245 -2.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3956 -3.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3956 -4.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8245 -5.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2534 -4.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5390 -1.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3640 -2.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5390 -2.0510 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.5390 -2.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 -2.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7456 -3.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5706 -3.2885 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.5706 -4.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3956 -6.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2206 -5.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3956 -5.7635 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.5706 -5.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5390 -7.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5390 -5.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5390 -6.1760 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.3640 -6.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0784 -4.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0784 -5.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0784 -4.9385 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 15.9034 -4.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 5 4 1 0 0 0 0 4 6 1 0 0 0 0 1 8 1 1 0 0 0 2 9 1 1 0 0 0 3 10 1 1 0 0 0 4 12 1 1 0 0 0 5 11 1 6 0 0 0 6 7 1 6 0 0 0 8 15 1 0 0 0 0 9 19 1 0 0 0 0 10 23 1 0 0 0 0 11 27 1 0 0 0 0 12 31 1 0 0 0 0 15 13 2 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 19 17 2 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 23 21 1 0 0 0 0 23 22 2 0 0 0 0 23 24 1 0 0 0 0 27 25 2 0 0 0 0 27 26 1 0 0 0 0 27 28 1 0 0 0 0 31 29 2 0 0 0 0 31 30 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:18345 > 1D-myo-inositol 1,2,3,4,5-pentakisphosphate > 3 > CHEBI:47494; CHEBI:11368; CHEBI:11356; CHEBI:19184; CHEBI:5930 > myo-Inositol 1,2,3,4,5-pentakisphosphate; L-myo-Inositol 1,2,3,4,5-pentakisphosphate; Inositol 1,2,3,4,5-pentakisphosphate; D-myo-Inositol 1,2,3,4,5-pentakisphosphate; 1L-myo-Inositol 1,2,3,4,5-pentakisphosphate; 1D-myo-Inositol 1,2,3,4,5-pentakisphosphate; (1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)] > 1D-myo-inositol 1,2,3,4,5-pentakis(dihydrogen phosphate) > C6H17O21P5 > 580.05539 > 579.89504 > 0 > 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)/t1-,2-,3+,4-,5-,6-/m0/s1 > CTPQAXVNYGZUAJ-PTQMNWPWSA-N > 9534449 > C04579 > IP5 $$$$