Mrv1652304282209242D 44 46 0 0 1 0 999 V2000 2.8579 4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 4.9500 0.0000 C 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 2.8579 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 2 0 0 0 0 0 0 0 0 0 2.5559 1.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 2.2539 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3819 -1.7224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1665 -1.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.5070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6119 -3.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1830 -3.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1526 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -4.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1528 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -3.7557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -2.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -1.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 5.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 4 9 1 1 0 0 0 10 9 1 1 0 0 0 10 11 2 0 0 0 0 10 12 1 6 0 0 0 10 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 2 0 0 0 0 14 16 1 1 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 25 31 1 0 0 0 0 31 32 2 0 0 0 0 24 33 1 0 0 0 0 19 33 1 0 0 0 0 3 34 1 1 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 2 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 6 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 1 44 1 1 0 0 0 M END > NP0062861 > NP-MRD > C[C@@H](O[C@H]1[C@H](O)[C@H](CO)O[C@H](O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@@H]([C@@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@@H]1NC(C)=O)C(O)=O > InChI=1S/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t7-,9+,10-,12-,13+,14-,15+,16-,17+,19-/m1/s1 > NQBRVZNDBBMBLJ-LCAFIGFOSA-N > C20H31N3O19P2 > 679.418 > 679.102699786 > 16 > 75 > 56.99028598251944 > 0 > 9 > 0 > 0 > (2R)-2-{[(2R,3R,4R,5S,6S)-2-({[({[(2R,3R,4S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acid > -1.30 > -4.594769218000001 > -1.77 > 1 > 3 > -3 > 3.0585130610830435 > 1.7314841689009461 > -3.6391198642189053 > 326.71000000000004 > 132.8868 > 13 > 0 > 1.16e+01 g/l > (2R)-2-{[(2R,3R,4R,5S,6S)-2-[({[(2R,3R,4S,5S)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acid > 0 > NP0062861 > UDP-N-acetylmuramic acid $$$$