5327013 -OEChem-10051720413D 41 44 0 1 0 0 0 0 0999 V2000 -3.0269 -2.8437 0.0143 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 2.4467 -0.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -0.2316 0.9518 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0418 1.1896 -0.2432 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4282 5.1926 -0.4787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4421 -3.7720 -1.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3149 -2.8906 0.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 -3.1488 0.6526 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4423 -1.1418 0.4581 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4685 1.0947 0.4124 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5127 -1.6176 -0.5579 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 -2.5389 -0.2088 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 1.0489 0.8155 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1297 2.0007 0.5025 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1289 1.1302 -0.4300 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4907 3.0555 -0.3771 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9154 -0.1033 0.3576 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3176 0.8399 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0197 4.2661 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 -1.1820 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9722 -0.3991 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 1.7553 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 -0.2327 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 -1.3034 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4671 -2.6146 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 1.3196 1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6573 2.3909 1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4692 0.4224 -1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1513 3.3699 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6597 -0.1914 1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2672 3.9970 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8566 4.7594 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3595 -1.1041 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0923 -1.0451 -1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 2.8186 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 1.5250 0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 4.7424 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 -1.8181 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0449 -3.5927 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 -4.7467 -1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -3.6968 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 19 1 0 0 0 0 5 37 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 9 24 2 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 36 1 0 0 0 0 11 21 1 0 0 0 0 11 25 1 0 0 0 0 11 38 1 0 0 0 0 12 24 1 0 0 0 0 12 25 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 25 39 1 0 0 0 0 M END > DB04753 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZOEDLCUBOBTIHG-USQSKNHBSA-N/SDF?record_type=3d > OC[C@H]1O[C@H]([C@@H]2O[C@H](CP(O)(O)=O)O[C@H]12)C1=CNC2=C1NC=NC2=O > InChI=1S/C13H16N3O8P/c17-2-6-11-12(24-7(23-11)3-25(19,20)21)10(22-6)5-1-14-9-8(5)15-4-16-13(9)18/h1,4,6-7,10-12,14,17H,2-3H2,(H,15,16,18)(H2,19,20,21)/t6-,7-,10+,11-,12+/m1/s1 > ZOEDLCUBOBTIHG-USQSKNHBSA-N > C13H16N3O8P > 373.2552 > 373.067501015 > 10 > 41 > -1.1266332236411456 > 32.83165019319176 > 1 > 5 > 0 > 0 > {[(2S,3aR,4R,6S,6aS)-4-(hydroxymethyl)-6-{4-oxo-1H,4H,5H-pyrrolo[3,2-d]pyrimidin-7-yl}-tetrahydro-2H-furo[3,4-d][1,3]dioxol-2-yl]methyl}phosphonic acid > -1.01 > -1.9769361093333329 > -1.47 > 0 > -1 > 4 > -1 > 8.14906120825902 > 1.7295573894670104 > -0.3087792478078186 > 162.7 > 81.86189999999999 > 4 > 1 > 1.26e+01 g/l > tetrahydrofolic acid > 0 $$$$