6176 -OEChem-10051719553D 45 46 0 1 0 0 0 0 0999 V2000 1.6103 -2.3672 -0.0408 P 0 0 1 0 0 0 0 0 0 0 0 0 4.2200 -1.2159 0.6872 P 0 0 2 0 0 0 0 0 0 0 0 0 4.6127 1.3699 -0.6776 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 0.8398 -0.9737 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 3.5533 0.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 2.9366 1.4792 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 -0.9452 -0.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 1.7476 -0.4925 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8225 -1.9792 0.9542 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5023 -2.9984 0.9547 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -3.2671 -1.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7631 0.1662 -0.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 -2.0490 -0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0955 -1.0447 1.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 2.4714 -1.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3997 2.0164 0.5771 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4759 0.9620 -1.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3022 0.3235 -0.2662 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5851 -0.4587 -0.2625 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0713 -2.7204 -0.0246 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 2.2971 0.7688 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8936 1.8701 1.0208 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0224 1.2293 -0.2020 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3171 1.3640 -0.3473 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5692 -0.0112 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8761 -0.9855 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 0.5953 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7193 -2.0125 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1666 -1.6873 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1368 2.3943 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 1.0690 1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7599 1.6151 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 2.1765 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1746 -0.4802 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 0.2624 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 3.4588 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 3.2743 2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -1.1860 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3936 -3.0364 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2884 -3.4329 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0686 -2.5447 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7777 -3.6841 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 -2.9021 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 3.2740 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0536 2.7286 0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 2 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 21 1 0 0 0 0 5 36 1 0 0 0 0 6 22 1 0 0 0 0 6 37 1 0 0 0 0 7 25 1 0 0 0 0 8 27 2 0 0 0 0 10 40 1 0 0 0 0 13 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 18 24 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 19 27 1 0 0 0 0 19 29 2 0 0 0 0 20 29 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 30 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 23 25 1 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 26 28 2 0 0 0 0 26 38 1 0 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 M END > DB02431 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PCDQPRRSZKQHHS-XVFCMESISA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O > InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 > PCDQPRRSZKQHHS-XVFCMESISA-N > C9H16N3O14P3 > 483.1563 > 482.984511771 > 13 > 45 > -3.429523833750468 > 35.87464665037284 > 0 > 7 > 0 > 0 > ({[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid > -0.34 > -3.8559133286199447 > -1.64 > 0 > -3 > 2 > -4 > 2.4899803295541885 > 0.8906279444189122 > 4.340383217038065 > 268.19999999999993 > 87.16349999999998 > 8 > 0 > 1.12e+01 g/l > biotin > 0 $$$$