6133 -OEChem-10051720263D 44 45 0 1 0 0 0 0 0999 V2000 1.6103 -2.3667 -0.0430 P 0 0 1 0 0 0 0 0 0 0 0 0 4.2196 -1.2152 0.6861 P 0 0 2 0 0 0 0 0 0 0 0 0 4.6114 1.3720 -0.6762 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 0.8403 -0.9728 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4354 3.5530 0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 2.9342 1.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 -0.9444 -0.4917 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1059 1.7901 -0.5008 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -1.9792 0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 -2.9992 0.9519 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0096 -3.2654 -1.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0045 -2.7055 -0.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7622 0.1674 -0.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 -2.0469 -0.5268 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -1.0449 1.8927 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 2.4735 -1.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3982 2.0176 0.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4748 0.9655 -1.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 0.3225 -0.2659 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5514 -0.4490 -0.2626 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4646 2.2962 0.7710 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8950 1.8684 1.0226 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0212 1.2294 -0.2007 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3184 1.3634 -0.3460 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5684 -0.0115 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6782 0.6432 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 -0.9990 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7483 -2.0293 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2017 -1.7804 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 2.3927 1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 1.0661 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7586 1.6162 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7037 2.1777 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1781 -0.4821 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 0.2607 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8715 3.4590 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2999 3.2711 2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8459 -1.2040 -0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5445 -0.2420 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4003 -3.0471 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -3.4337 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3326 -2.9001 -0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 3.2766 -1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0517 2.7304 0.4146 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 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 2 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 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 26 2 0 0 0 0 10 41 1 0 0 0 0 12 29 2 0 0 0 0 14 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 26 1 0 0 0 0 20 29 1 0 0 0 0 20 39 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 27 28 2 0 0 0 0 27 38 1 0 0 0 0 28 29 1 0 0 0 0 28 40 1 0 0 0 0 M END > DB04005 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PGAVKCOVUIYSFO-XVFCMESISA-N/SDF?record_type=3d > O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O > InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)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)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 > PGAVKCOVUIYSFO-XVFCMESISA-N > C9H15N2O15P3 > 484.1411 > 483.968527356 > 12 > 44 > -3.434209319740698 > 35.37877246027401 > 0 > 7 > 0 > 0 > ({[({[(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)phosphonic acid > -0.07 > -3.3824051309999996 > -1.76 > 0 > -3 > 2 > -4 > 2.5314754518123546 > 0.8952816790642986 > -3.664543362843608 > 258.91999999999996 > 85.18429999999998 > 8 > 0 > 8.37e+00 g/l > tetrahydrofolic acid > 0 $$$$