65059 -OEChem-10051720353D 37 39 0 1 0 0 0 0 0999 V2000 -4.7803 -1.3747 0.1878 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1861 0.8893 0.9009 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3406 3.8388 0.0024 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 -0.2217 0.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0073 -2.1398 -1.0089 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9288 -0.5393 -0.5856 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -2.8400 -0.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2755 -2.2549 1.2978 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 0.0880 0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 0.9975 0.2709 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4665 -2.0549 -0.2789 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8842 -0.6277 0.0432 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 1.6513 0.4333 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0348 1.2607 0.2377 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6561 2.6205 -0.6680 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3634 1.9437 -1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2749 1.6386 0.3213 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2234 0.6523 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 0.0226 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 -1.2045 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 -1.2808 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9759 -1.6753 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4692 0.6105 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 1.9486 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 2.8653 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5521 1.2045 -1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4129 2.6321 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 2.1477 1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 0.0569 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0473 1.1878 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 3.6320 0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 -1.4649 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8789 1.9686 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 1.5019 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0114 2.5982 0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4186 -2.9366 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7361 -1.0086 -0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 31 1 0 0 0 0 4 18 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 22 2 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 10 33 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 2 0 0 0 0 13 23 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 M END > DB04457 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LTFMZDNNPPEQNG-KVQBGUIXSA-N/SDF?record_type=3d > NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1 > InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 > LTFMZDNNPPEQNG-KVQBGUIXSA-N > C10H14N5O7P > 347.2212 > 347.063084339 > 10 > 37 > -1.9169304592498217 > 29.716968922692246 > 1 > 5 > 0 > 0 > {[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid > -1.92 > -1.8137790445997954 > -2.11 > 0 > -2 > 3 > -2 > 6.257952421059732 > 1.2353330995574066 > 2.856391867241211 > 181.51999999999998 > 73.5499 > 4 > 1 > 2.67e+00 g/l > tetrahydrofolic acid > 0 $$$$