6804 -OEChem-10051719463D 38 40 0 1 0 0 0 0 0999 V2000 4.7855 1.4769 0.1195 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2061 -0.7545 1.0346 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 -2.7850 -1.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 -3.7234 0.3497 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7559 0.3513 0.6623 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 2.1646 -1.1089 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9241 0.5988 -0.6203 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 2.9901 -0.4276 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 2.4256 1.1645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 0.0327 0.1488 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1117 -0.8325 0.3732 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3929 2.1647 -0.2995 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8361 0.8074 0.0508 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 -1.4435 0.5415 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 -1.8829 -0.8801 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0194 -1.1459 0.3866 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6595 -2.5754 -0.4303 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2946 -1.5295 0.4806 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2279 -0.5836 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2004 0.1187 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 1.3052 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 1.4162 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9092 1.8305 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4432 -0.4266 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6029 -1.1833 -1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 -1.7883 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.9061 -1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -1.9810 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6863 -0.0362 -1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 -1.1460 -0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 -3.4305 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 -4.1154 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6498 1.5462 -0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8769 -1.7993 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0207 -2.3874 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3350 -1.2787 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3911 2.9364 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7245 1.0509 -0.9625 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 9 2 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 15 1 0 0 0 0 3 31 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 19 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 23 2 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 11 34 1 0 0 0 0 12 21 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 2 0 0 0 0 14 24 1 0 0 0 0 14 35 1 0 0 0 0 14 36 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 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 M END > DB01972 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RQFCJASXJCIDSX-UUOKFMHZSA-N/SDF?record_type=3d > NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 > InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 > RQFCJASXJCIDSX-UUOKFMHZSA-N > C10H14N5O8P > 363.2206 > 363.057998961 > 10 > 38 > -1.9189603001318534 > 30.69674158026033 > 0 > 6 > 0 > 0 > {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid > -1.99 > -3.116246366522518 > -2.01 > 0 > -2 > 3 > -2 > 6.250470138716183 > 1.3007085161644958 > 0.4303695923436559 > 201.74999999999994 > 75.49399999999999 > 4 > 0 > 3.56e+00 g/l > biotin > 0 $$$$