445093 -OEChem-10051720023D 39 41 0 1 0 0 0 0 0999 V2000 4.8926 1.3562 0.1717 P 0 0 1 0 0 0 0 0 0 0 0 0 0.9872 -0.3646 0.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7291 -2.8664 -1.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4588 -3.3517 0.4498 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 1.0115 0.0975 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3762 1.3535 -1.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2140 2.6222 0.9111 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2284 0.0445 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.0133 -0.5034 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 -1.1464 0.6607 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2369 0.2608 0.3381 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0879 2.5185 -0.4415 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1685 -1.7999 -0.8564 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5589 -2.2666 -0.4724 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2242 -0.9823 0.3647 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1199 -1.0505 0.2581 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8426 -0.0829 -0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5825 -0.0727 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.3163 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 1.1574 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4796 1.3051 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6691 -0.0922 0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 -0.8832 0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -1.1759 -1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 -2.6054 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6194 -1.6075 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 -1.3321 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1624 0.3277 -1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6629 -0.5846 -1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 -3.4423 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 -3.5945 0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 1.6802 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -0.9867 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7537 0.0442 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -0.2669 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -1.6982 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 2.1059 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5251 3.2991 -0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0942 2.6009 -0.3912 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 2 0 0 0 0 1 22 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 30 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 17 1 0 0 0 0 6 37 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 18 2 0 0 0 0 10 23 1 0 0 0 0 11 21 1 0 0 0 0 11 23 2 0 0 0 0 12 21 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > DB02798 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PXSSQXBLDTZHLF-IOSLPCCCSA-N/SDF?record_type=3d > [H][C@]1(COP(C)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O > InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 > PXSSQXBLDTZHLF-IOSLPCCCSA-N > C11H16N5O6P > 345.2484 > 345.083819781 > 9 > 39 > -0.9917689311300187 > 30.83723372804002 > 1 > 4 > 0 > 0 > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(methyl)phosphinic acid > -2.88 > -4.755332368320333 > -2.04 > 0 > -1 > 3 > -1 > 12.457224817480094 > 1.4069355004131234 > 3.9400368263017955 > 165.83999999999997 > 76.59460000000001 > 4 > 1 > 3.16e+00 g/l > biotin > 0 $$$$