17473 -OEChem-10051720073D 59 61 0 1 0 0 0 0 0999 V2000 0.0408 -3.8631 -0.7807 P 0 0 2 0 0 0 0 0 0 0 0 0 -2.4012 -2.2735 -1.1887 P 0 0 1 0 0 0 0 0 0 0 0 0 3.4550 -1.2673 -0.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 0.5558 0.9399 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8617 -1.4454 2.3806 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 1.0621 2.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 -3.2965 -0.4425 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 -0.7919 -0.6528 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 1.6874 1.4992 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8725 -1.1247 1.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 3.4349 0.0707 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -2.5400 -0.6984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 3.9306 0.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 2.7388 -0.3614 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -4.6817 0.5508 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0385 2.4095 1.4587 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -3.2625 -0.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0835 -4.6332 -2.0629 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 -2.4686 -2.6618 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 3.3999 -2.9981 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 0.9666 -0.6171 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 3.0664 -1.6734 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -1.3239 2.1069 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1396 0.0850 1.6590 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1610 -2.1354 0.8552 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6208 0.0771 0.2182 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4307 1.2336 0.7577 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7022 -2.5608 0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9288 -0.0846 1.3457 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3438 2.3066 0.8534 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5874 -0.4834 0.7304 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0051 1.7907 0.3336 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3266 2.2847 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6816 0.5317 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 2.7091 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 1.2884 -1.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 2.6777 -2.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9182 -1.6351 3.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0584 0.2583 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8121 -3.0108 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6859 0.3305 0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7735 1.0998 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8214 0.0269 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2506 2.6531 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -1.7043 0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -3.1994 1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2099 -1.3693 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9853 1.6861 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -2.3713 2.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5123 0.9292 3.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3629 -0.4811 -1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2978 1.7873 2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 -1.9402 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 3.1443 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8235 4.0172 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 0.9145 -2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3385 4.5483 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 -4.2131 1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3207 -4.2146 -0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 1 18 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 2 19 2 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 23 1 0 0 0 0 5 49 1 0 0 0 0 6 24 1 0 0 0 0 6 50 1 0 0 0 0 7 28 1 0 0 0 0 8 31 1 0 0 0 0 9 27 1 0 0 0 0 9 52 1 0 0 0 0 10 29 1 0 0 0 0 10 53 1 0 0 0 0 11 30 1 0 0 0 0 11 54 1 0 0 0 0 13 35 1 0 0 0 0 13 57 1 0 0 0 0 14 33 2 0 0 0 0 15 58 1 0 0 0 0 16 35 2 0 0 0 0 17 59 1 0 0 0 0 20 37 2 0 0 0 0 21 26 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 33 1 0 0 0 0 22 37 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 28 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 42 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 31 1 0 0 0 0 29 43 1 0 0 0 0 30 32 1 0 0 0 0 30 44 1 0 0 0 0 31 47 1 0 0 0 0 32 35 1 0 0 0 0 32 48 1 0 0 0 0 34 36 2 0 0 0 0 34 51 1 0 0 0 0 36 37 1 0 0 0 0 36 56 1 0 0 0 0 M END > DB03041 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HDYANYHVCAPMJV-LXQIFKJMSA-N/SDF?record_type=3d > O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O > InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1 > HDYANYHVCAPMJV-LXQIFKJMSA-N > C15H22N2O18P2 > 580.2853 > 580.034284934 > 15 > 59 > -3.0017479274249315 > 45.327918968046085 > 0 > 9 > 0 > 0 > (2S,3S,4S,5R,6R)-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid > -1.21 > -4.676333540666667 > -1.51 > 1 > -3 > 3 > -3 > 2.9123372974564385 > 1.7164010313976272 > -3.7320127240313705 > 308.60999999999996 > 106.32319999999997 > 9 > 0 > 1.81e+01 g/l > tetrahydrofolic acid > 0 $$$$