10180201 -OEChem-10051720583D 52 54 0 1 0 0 0 0 0999 V2000 5.1259 -2.8347 -0.0601 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 0.6618 -1.0154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 3.1830 1.3457 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 3.3176 -0.1846 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 -1.3778 -0.5907 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4751 -2.5034 0.7677 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0538 -3.1818 1.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 -3.8790 -1.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5366 0.7345 -0.2546 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 -1.0078 0.0654 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 2.4951 -0.5444 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 -0.6918 0.0472 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 1.6207 -0.3652 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 1.9697 0.9155 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8362 2.1106 0.5527 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7780 1.4911 -0.4010 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0558 0.9237 -0.3801 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4935 -0.3355 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 1.2259 -0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4359 -0.6110 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 0.1302 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9438 0.3474 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9770 -1.8605 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2739 -0.5264 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5177 -1.7956 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4589 2.5947 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1013 -1.3915 -1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9802 -0.8092 1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 1.2205 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 2.1413 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 2.3175 -1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7669 1.1529 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4393 -0.1583 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.6430 1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 3.8536 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 3.2448 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3003 -1.2522 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6623 -2.5816 -0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6313 -2.2731 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5479 0.1960 0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5802 -0.1156 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8940 -2.7941 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 -1.6167 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 3.5897 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8340 -0.3665 -1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1948 -1.4526 -1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 -2.0611 -1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5116 -1.0292 2.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7615 0.2302 1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0650 -0.8846 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0097 -3.2462 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0899 -4.0618 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 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 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 14 1 0 0 0 0 3 35 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 5 18 1 0 0 0 0 6 51 1 0 0 0 0 7 52 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 20 2 0 0 0 0 10 21 1 0 0 0 0 11 19 2 0 0 0 0 11 26 1 0 0 0 0 12 22 1 0 0 0 0 12 24 1 0 0 0 0 12 43 1 0 0 0 0 13 22 1 0 0 0 0 13 26 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 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 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > DB07205 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GZJXCRHEMLAMRA-SDBHATRESA-N/SDF?record_type=3d > [H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O > InChI=1S/C15H24N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h6-9,11-12,15,21-22H,3-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1 > GZJXCRHEMLAMRA-SDBHATRESA-N > C15H24N5O7P > 417.3541 > 417.141334659 > 10 > 52 > -1.9131291901439698 > 40.34759586819651 > 1 > 5 > 0 > 0 > {[(2R,3S,4R,5R)-3,4-dihydroxy-5-{6-[(3-methylbutyl)amino]-9H-purin-9-yl}oxolan-2-yl]methoxy}phosphonic acid > -0.09 > -2.6266595261093304 > -2.38 > 1 > -2 > 3 > -2 > 6.263738676328697 > 1.2255070386323328 > 3.7488037517963093 > 172.08000000000004 > 97.98409999999997 > 8 > 1 > 1.74e+00 g/l > tetrahydrofolic acid > 0 $$$$