Mrv2104 05272301572D 39 41 0 0 0 0 999 V2000 5.7158 3.3000 0.0000 C 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 4.2868 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 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 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 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 0 0 0 0 0 0 0 0 0 0 1.3819 -1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -2.5070 0.0000 C 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 -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 -1.4884 -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 -1.6377 -5.1768 0.0000 O 0 0 0 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 2.1665 -1.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 0.8250 0.0000 O 0 5 0 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 1.7309 2.7770 0.0000 O 0 5 0 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 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 0 0 0 0 0 0 0 0 0 0 2.8579 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.5375 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 2.8579 5.7750 0.0000 O 0 0 0 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 5.0013 4.5375 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 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 0 0 0 0 22 23 2 0 0 0 0 20 24 2 0 0 0 0 14 25 1 0 0 0 0 13 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 2 0 0 0 0 7 29 1 0 0 0 0 7 30 2 0 0 0 0 5 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 4 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 2 39 2 0 0 0 0 M CHG 2 27 -1 29 -1 M END > NP0339760 > NP-MRD > CC(=O)NC1C(O)C(O)C(CO)OC1OP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1O)N1C=CC(=O)NC1=O > InChI=1/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/p-2 > LFTYTUAZOPRMMI-UHFFFAOYNA-L > C17H25N3O17P2 > 605.34 > 605.067017513 > 14 > 64 > 50.6025098363846 > 0 > 7 > -2 > 0 > [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate > -5.284643272333334 > 1 > 3 > -2 > 3.1791675779187587 > 1.737213537795745 > -3.518527925320075 > 306.07 > 115.31369999999995 > 10 > 0 > [5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxyphosphonate > 0 > NP0339760 > UDP-N-acetyl-α-D-glucosamine $$$$