6132 -OEChem-10051720373D 40 41 0 1 0 0 0 0 0999 V2000 -3.1507 0.9273 0.8617 P 0 0 2 0 0 0 0 0 0 0 0 0 -3.9672 -1.3244 -0.8463 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1234 1.4816 1.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 3.9203 -0.2294 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 1.8903 -1.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 1.5731 1.0562 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 -0.5355 0.1657 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -0.3257 -0.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 1.9932 -0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8571 0.5753 2.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6174 -2.1233 0.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 -2.4273 -1.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9502 -0.6514 -1.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 -0.3837 0.2858 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 -2.4978 0.1804 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 -4.5046 0.1939 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 2.9478 -0.7389 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0581 1.6606 -1.0597 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4134 2.5203 0.4007 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2429 1.0509 0.3192 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9143 1.9466 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0622 -1.0701 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4785 -1.1146 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9892 -2.3994 0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2812 -3.1296 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8139 3.3904 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 1.0304 -1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 3.3286 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 1.4125 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 1.0790 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 2.7103 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6306 3.5873 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7322 1.0318 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 -0.5084 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -2.9411 0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 2.7950 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 -5.0237 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 -5.0438 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3606 -2.7411 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -3.1116 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 18 1 0 0 0 0 5 33 1 0 0 0 0 6 21 1 0 0 0 0 7 23 2 0 0 0 0 9 36 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 23 1 0 0 0 0 15 25 2 0 0 0 0 16 25 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 24 25 1 0 0 0 0 24 35 1 0 0 0 0 M END > DB04555 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZWIADYZPOWUWEW-XVFCMESISA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O > InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 > ZWIADYZPOWUWEW-XVFCMESISA-N > C9H15N3O11P2 > 403.1764 > 403.018181361 > 11 > 40 > -2.4280583800716316 > 31.38641764457615 > 0 > 6 > 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]phosphonic acid > -1.38 > -3.491081081337937 > -1.60 > 0 > -2 > 2 > -3 > 3.1381110114898156 > 1.741279998336448 > 4.332966633787919 > 221.66999999999996 > 76.2906 > 6 > 0 > 1.01e+01 g/l > tetrahydrofolic acid > 0 $$$$