65110 -OEChem-10051719403D 37 38 0 1 0 0 0 0 0999 V2000 4.8194 1.2016 -0.3365 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 -0.6039 1.4523 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 -2.4369 -1.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 -3.2254 0.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8352 0.0024 0.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 2.1845 0.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 2.0173 -1.4024 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1595 0.7596 -0.8472 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7169 0.1604 -0.3824 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5545 -0.1597 0.3411 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 1.8159 0.1919 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3387 -1.6899 -0.0067 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2793 2.3953 -0.2868 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2953 -1.4394 -0.7548 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6330 -1.8863 -0.1989 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4724 -1.1251 0.5202 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8209 -0.9487 0.9897 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5503 0.3360 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 -0.4277 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 1.2022 0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4766 0.8056 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8643 1.0624 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 -0.5447 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4329 -1.8690 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 -2.0213 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 -1.4503 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.9741 1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9918 0.9031 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -3.2415 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3851 -3.4662 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 1.6924 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 -2.5106 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3202 -1.8818 -0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4546 2.9632 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3266 2.7534 -1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 3.1666 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2522 2.6325 -0.4500 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 29 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 18 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 9 22 2 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 19 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 22 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 M END > DB01700 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NOTGFIUVDGNKRI-UUOKFMHZSA-N/SDF?record_type=3d > NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O > InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 > NOTGFIUVDGNKRI-UUOKFMHZSA-N > C9H15N4O8P > 338.2112 > 338.062749988 > 9 > 37 > -1.9121448761544715 > 28.56573109900927 > 0 > 6 > 0 > 0 > {[(2R,3S,4R,5R)-5-(5-amino-4-carbamoyl-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid > -2.16 > -4.81241299868757 > -2.08 > 0 > -2 > 2 > -2 > 6.266347985457528 > 1.2245998962218518 > 4.804279678031426 > 203.37999999999997 > 69.1421 > 5 > 0 > 2.79e+00 g/l > biotin > 0 $$$$