Mrv0541 08141218122D 42 44 0 0 0 0 999 V2000 -2.4757 3.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 4.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2893 9.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 6.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 10.6442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7615 6.6937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2962 3.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8477 11.1962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 7.1786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0964 6.6937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0631 10.9413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8414 5.9090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8916 10.1343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1468 5.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2454 10.8991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6318 4.6604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3264 5.2416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7811 3.2393 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0192 12.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 8.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 6.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 11.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4824 6.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 8.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2342 7.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 9.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7424 8.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 9.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1946 7.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 5.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1069 9.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7639 8.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9793 8.0105 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 9.0724 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0739 10.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 7.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6323 11.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 7.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2254 7.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 11.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 6.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2785 10.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 1 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 5 15 1 1 0 0 0 16 7 2 0 0 0 0 16 14 1 0 0 0 0 17 2 1 0 0 0 0 12 17 1 1 0 0 0 17 14 1 0 0 0 0 18 7 1 0 0 0 0 8 19 1 1 0 0 0 9 20 1 6 0 0 0 10 21 1 6 0 0 0 11 22 1 6 0 0 0 23 14 2 0 0 0 0 28 3 1 0 0 0 0 28 13 1 0 0 0 0 29 4 1 0 0 0 0 30 6 1 0 0 0 0 30 12 1 0 0 0 0 13 31 1 6 0 0 0 33 24 1 0 0 0 0 33 25 2 0 0 0 0 33 29 1 0 0 0 0 33 32 1 0 0 0 0 34 26 1 0 0 0 0 34 27 2 0 0 0 0 34 31 1 0 0 0 0 34 32 1 0 0 0 0 5 35 1 6 0 0 0 6 36 1 6 0 0 0 8 37 1 6 0 0 0 9 38 1 1 0 0 0 10 39 1 1 0 0 0 11 40 1 1 0 0 0 12 41 1 6 0 0 0 13 42 1 1 0 0 0 M CHG 1 18 -1 M END > M2MDB001762 > M2MDB > [H][C@]1(COP(O)(=O)OP(O)(=O)O[C@@]2([H])OC[C@]([H])(N)[C@]([H])(O)[C@@]2([H])O)O[C@@]([H])(N2C=CC([O-])=NC2=O)[C@]([H])(O)[C@]1([H])O > InChI=1S/C14H23N3O15P2/c15-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,24,25)(H,26,27)(H,16,18,23)/p-1/t5-,6+,8-,9+,10+,11+,12+,13+/m0/s1 > GWBAKYBSWHQNMQ-IAZOVDBXSA-M > C14H22N3O15P2 > 534.2831 > 534.052615073 > 14 > 43.28570855693355 > 0 > 7 > -1 > 0 > 1-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-olate > -1.83 > -5.313163073908307 > -1.28 > 1 > 3 > -1 > 3.156325848313341 > 1.7326377673031592 > 8.83628336177278 > 283.41999999999996 > 113.02279999999999 > 8 > 0 > 2.87e+01 g/l > 1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-olate > 0 > ECMDB21366 > Uridine 5''-diphospho-{beta}-4-deoxy-4-amino-L-arabinose $$$$