16211908 -OEChem-04252402142D 70 72 0 1 0 0 0 0 0999 V2000 1.5398 1.4151 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6175 2.8623 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 4.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3053 3.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 2.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 3.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 4.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2021 1.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 2.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 1.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 0.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6262 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3607 2.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2866 3.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8463 4.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 5.6765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4533 1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9484 2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1143 4.8102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 5.6765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9803 6.3102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 7.1765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1143 7.8102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 8.6765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 3.1377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9233 3.2224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4118 4.0888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6143 2.2714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7208 3.1377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1143 3.8102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6143 2.2714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2208 4.6765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3086 2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0265 1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2483 5.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3548 6.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9803 5.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 6.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2483 6.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3548 7.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1143 6.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 7.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 3.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3617 2.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 3.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 1.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3332 3.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5619 4.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0019 2.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 4.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7514 2.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 1.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8556 0.8663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5838 1.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9499 0.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7113 5.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 5.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 1.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7113 6.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 7.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5821 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 1.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9503 2.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8931 3.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 8.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6512 8.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 8.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7578 8.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 17 2 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 18 2 0 0 0 0 3 29 1 0 0 0 0 3 32 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 25 5 1 1 0 0 0 26 6 1 6 0 0 0 27 7 1 1 0 0 0 7 55 1 0 0 0 0 28 8 1 6 0 0 0 8 56 1 0 0 0 0 9 33 1 0 0 0 0 9 59 1 0 0 0 0 10 34 1 0 0 0 0 10 60 1 0 0 0 0 11 63 1 0 0 0 0 12 64 1 0 0 0 0 13 65 1 0 0 0 0 14 66 1 0 0 0 0 15 37 2 0 0 0 0 16 38 2 0 0 0 0 30 19 1 1 0 0 0 19 35 1 0 0 0 0 19 37 1 0 0 0 0 32 20 1 6 0 0 0 20 36 1 0 0 0 0 20 38 1 0 0 0 0 21 37 1 0 0 0 0 21 41 2 0 0 0 0 22 38 1 0 0 0 0 22 42 2 0 0 0 0 23 41 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 42 1 0 0 0 0 24 69 1 0 0 0 0 24 70 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 44 1 0 0 0 0 27 32 1 0 0 0 0 27 45 1 0 0 0 0 28 31 1 0 0 0 0 28 46 1 0 0 0 0 29 33 1 6 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 34 1 1 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 35 39 2 0 0 0 0 35 57 1 0 0 0 0 36 40 2 0 0 0 0 36 58 1 0 0 0 0 39 41 1 0 0 0 0 39 61 1 0 0 0 0 40 42 1 0 0 0 0 40 62 1 0 0 0 0 M END > 16211908 > 1 > 1060 > 16 > 10 > 8 > AAADceB7vgMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCoQCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3R,4R,5R)-2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate > [(2R,3R,4R,5R)-2-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate > [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate > [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate > [(2R,3R,4R,5R)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate > [(2R,3R,4R,5R)-2-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate;[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate > InChI=1S/2C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18;10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h2*1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t2*4-,6-,7-,8-/m11/s1 > DSZXBLYFKPSDKQ-SGOXFDQRSA-N > 646.10370282 > C18H28N6O16P2 > 646.4 > C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O.C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)OP(=O)(O)O > C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O.C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O > 350 > 646.10370282 > 0 > 42 > 8 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 30 19 5 19 35 8 19 37 8 32 20 6 20 36 8 20 38 8 21 37 8 21 41 8 22 38 8 22 42 8 29 33 6 31 34 5 35 39 8 36 40 8 39 41 8 40 42 8 25 5 5 26 6 6 27 7 5 28 8 6 $$$$