Mrv0541 07301213422D 49 51 0 0 0 0 999 V2000 -0.4054 2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6558 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1709 -0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 2.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2339 3.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9416 1.8053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4763 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6755 4.6939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6091 2.2902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1092 4.9488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2807 5.7558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2765 1.8053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3324 6.3078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0216 1.0206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1609 7.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2886 5.2459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3270 0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 3.8869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8119 -0.2280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5065 0.3532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 3.5898 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.9613 -1.6491 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6091 3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 4.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 6.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0611 2.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 7.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6237 7.3698 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.6625 1.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4558 3.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0517 4.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4377 4.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9855 2.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1966 1.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 6.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 4.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 3.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2009 3.1221 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 4.1840 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 2.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0895 4.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0464 2.8935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 4.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8938 5.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4056 2.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4522 6.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8364 1.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4601 4.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 5 1 1 4 0 0 0 6 4 1 1 0 0 0 7 2 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 13 15 1 6 0 0 0 16 8 1 0 0 0 0 18 5 2 0 0 0 0 8 18 1 6 0 0 0 19 7 2 0 0 0 0 19 17 1 0 0 0 0 20 3 1 0 0 0 0 14 20 1 1 0 0 0 20 17 1 0 0 0 0 21 5 1 0 0 0 0 22 7 1 0 0 0 0 9 23 1 6 0 0 0 10 24 1 6 0 0 0 11 25 1 1 0 0 0 12 26 1 6 0 0 0 27 15 2 0 0 0 0 28 15 1 0 0 0 0 29 17 2 0 0 0 0 34 4 1 0 0 0 0 35 6 1 0 0 0 0 35 14 1 0 0 0 0 36 13 1 0 0 0 0 36 16 1 0 0 0 0 16 37 1 1 0 0 0 39 30 1 0 0 0 0 39 31 2 0 0 0 0 39 34 1 0 0 0 0 39 38 1 0 0 0 0 40 32 1 0 0 0 0 40 33 2 0 0 0 0 40 37 1 0 0 0 0 40 38 1 0 0 0 0 6 41 1 6 0 0 0 8 42 1 1 0 0 0 9 43 1 1 0 0 0 10 44 1 1 0 0 0 11 45 1 6 0 0 0 12 46 1 1 0 0 0 13 47 1 1 0 0 0 14 48 1 6 0 0 0 16 49 1 6 0 0 0 M CHG 3 21 -1 22 -1 28 -1 M END > M2MDB001698 > M2MDB > [H][C@]1(COP(O)(=O)OP(O)(=O)O[C@@]2([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])N=C(C)[O-])O[C@@]([H])(N2C=CC([O-])=NC2=O)[C@]([H])(O)[C@]1([H])O > InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/p-3/t6-,8+,9-,10-,11+,12-,13+,14-,16-/m1/s1 > DZOGQXKQLXAPND-XHUKORKBSA-K > C17H22N3O18P2 > 618.3134 > 618.037358939 > 17 > 49.78273818494922 > 0 > 6 > -3 > 0 > (2S,3S,4R,5S,6R)-6-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4-dihydroxy-5-[(1-oxidoethylidene)amino]oxane-2-carboxylate > -1.10 > -3.7772638030000008 > -1.36 > 1 > 3 > -2 > 2.932788256025143 > 1.721134106748777 > -3.7261792996423333 > 332.95000000000005 > 150.2056 > 10 > 0 > 2.93e+01 g/l > (2S,3S,4R,5S,6R)-6-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3,4-dihydroxy-5-[(1-oxidoethylidene)amino]oxane-2-carboxylate > 0 > ECMDB21294 > UDP-N-Acetyl-D-mannosaminouronate $$$$