Mrv2104 05272301502D 39 42 0 0 0 0 999 V2000 -5.7689 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4363 6.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0152 6.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 7.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5964 7.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1753 7.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 8.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5079 7.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7542 7.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 6.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3478 5.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9267 5.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 4.9298 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 5.0160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1924 4.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0991 4.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 3.6244 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 2.9569 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9468 4.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7643 3.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1831 1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 1.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1831 1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 3 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 29 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 32 38 1 0 0 0 0 M CHG 2 14 -1 18 -1 M END > NP0339735 > NP-MRD > NC1=NC2=C(N=CN2C2OC(COP([O-])(=O)OP([O-])(=O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(=O)N1 > InChI=1/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/p-2 > MVMSCBBUIHUTGJ-UHFFFAOYNA-L > C16H23N5O16P2 > 603.328 > 603.062600836 > 16 > 62 > 50.781511965009955 > 0 > 8 > -2 > 0 > [5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate > -5.287584132999999 > 1 > 4 > -2 > 3.176324364365109 > 1.7325998238285532 > -3.64840938010819 > 333.0899999999999 > 116.2679 > 9 > 0 > [5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxyphosphonate > 0 > NP0339735 > GDP-α-D-glucose $$$$