Mrv1909 11111922092D 101102 0 0 0 0 999 V2000 -3.5723 -3.9187 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 1.0312 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3973 -3.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -4.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7473 -3.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 1.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 0.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 -1.8562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1433 -1.4437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8578 -2.6812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -1.8562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1433 -3.0937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7144 -1.4437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1433 -1.4437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -1.8562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1433 -0.6187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -0.2062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -3.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 -1.8562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5723 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -3.9187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7157 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -3.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -5.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -4.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -6.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -5.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8591 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -6.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 3.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8591 -5.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5736 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8591 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 4.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -7.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8591 -6.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 5.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -8.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0025 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 5.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0025 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7170 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 6.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7170 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 7.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7170 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4314 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 8.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8604 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4314 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8604 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 -0.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 16 2 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 2 21 2 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 30 4 1 6 0 0 0 4 37 1 0 0 0 0 5 32 1 0 0 0 0 5 36 1 0 0 0 0 27 6 1 6 0 0 0 6 39 1 0 0 0 0 29 7 1 1 0 0 0 33 8 1 1 0 0 0 8 40 1 0 0 0 0 34 9 1 6 0 0 0 36 10 1 6 0 0 0 11 38 1 0 0 0 0 11 51 1 0 0 0 0 43 12 1 1 0 0 0 12 62 1 0 0 0 0 15 41 2 0 0 0 0 17 45 2 0 0 0 0 47 20 1 1 0 0 0 22 53 2 0 0 0 0 23 56 2 0 0 0 0 24 62 2 0 0 0 0 28 25 1 1 0 0 0 25 41 1 0 0 0 0 25100 1 0 0 0 0 35 26 1 6 0 0 0 26 45 1 0 0 0 0 26101 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 31 38 1 6 0 0 0 32 34 1 0 0 0 0 32 37 1 1 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 39 42 1 0 0 0 0 40 44 1 0 0 0 0 41 46 1 0 0 0 0 42 43 1 0 0 0 0 43 48 1 0 0 0 0 44 47 1 0 0 0 0 45 49 1 0 0 0 0 46 53 1 0 0 0 0 47 50 1 0 0 0 0 48 52 1 0 0 0 0 49 56 1 0 0 0 0 50 54 1 0 0 0 0 52 55 1 0 0 0 0 53 57 1 0 0 0 0 54 58 1 0 0 0 0 55 59 1 0 0 0 0 56 60 1 0 0 0 0 57 61 1 0 0 0 0 58 63 1 0 0 0 0 59 65 1 0 0 0 0 60 64 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 69 1 0 0 0 0 64 68 1 0 0 0 0 65 71 1 0 0 0 0 66 70 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 69 75 1 0 0 0 0 70 74 1 0 0 0 0 71 79 1 0 0 0 0 72 78 1 0 0 0 0 73 76 1 0 0 0 0 74 77 1 0 0 0 0 75 82 1 0 0 0 0 76 80 1 0 0 0 0 77 81 1 0 0 0 0 78 85 1 0 0 0 0 80 83 1 0 0 0 0 81 84 1 0 0 0 0 83 86 1 0 0 0 0 84 87 1 0 0 0 0 85 89 2 0 0 0 0 86 88 1 0 0 0 0 87 90 1 0 0 0 0 88 92 1 0 0 0 0 89 91 1 0 0 0 0 90 94 1 0 0 0 0 91 93 1 0 0 0 0 92 95 1 0 0 0 0 93 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 M END > DB06447 > drugbank > [H]N([C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC(=O)CCC\C=C/CCCCCC)[C@H]2N([H])C(=O)CC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OCC[C@H](O)CCCCCCC)C(=O)CC(=O)CCCCCCCCCCC > InChI=1S/C73H136N2O22P2/c1-7-12-17-22-25-28-31-36-40-45-58(77)53-63(79)74-66-70(90-51-49-57(76)44-39-34-20-15-10-4)68(82)61(94-73(66)97-99(86,87)88)56-92-72-67(75-64(80)54-59(78)46-41-37-32-29-26-23-18-13-8-2)71(69(96-98(83,84)85)62(95-72)55-89-6)91-52-50-60(47-42-35-21-16-11-5)93-65(81)48-43-38-33-30-27-24-19-14-9-3/h30,33,57,60-62,66-73,76,82H,7-29,31-32,34-56H2,1-6H3,(H,74,79)(H,75,80)(H2,83,84,85)(H2,86,87,88)/b33-30-/t57-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1 > GDODKYPBSZCPOO-XFMGTHRKSA-N > C73H136N2O22P2 > 1455.831 > 1454.905998023 > 19 > 235 > 166.35725945222217 > 0 > 8 > 0 > 0 > {[(2R,3S,4R,5R,6R)-4-{[(3R)-3-[(5Z)-dodec-5-enoyloxy]decyl]oxy}-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-4-{[(3R)-3-hydroxydecyl]oxy}-5-(3-oxotetradecanamido)-6-(phosphonooxy)oxan-2-yl]methoxy}-2-(methoxymethyl)-5-(3-oxotetradecanamido)oxan-3-yl]oxy}phosphonic acid > 6.36 > 16.094272327666665 > -5.62 > 0 > 2 > -4 > 1.2940572802491055 > 0.5545014465029774 > 347.9999999999999 > 380.91589999999985 > 66 > 0 > 3.48e-03 g/l > biib021 > 0 > DB06447 > investigational > E5531 $$$$