6131 -OEChem-10051720153D 35 36 0 1 0 0 0 0 0999 V2000 3.7758 -1.4347 -0.0428 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 0.9713 -1.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 3.8624 -0.3465 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5536 2.8996 1.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 -0.2450 -0.6124 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6913 1.0267 -0.5308 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8506 -2.1535 1.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8719 -0.6389 0.8406 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3463 -2.3475 -1.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6106 0.0620 -0.2739 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6596 -1.1986 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6204 -3.4781 0.3738 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 2.7017 0.4383 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5447 1.9970 0.7996 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4277 1.6781 -0.4593 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8860 1.2808 -0.4957 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2590 0.6610 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8978 -1.0992 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 0.0127 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 -2.2734 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9725 -2.2845 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3357 3.0156 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 1.2910 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 2.1473 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 1.9239 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 0.1096 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0591 1.1799 0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0416 3.5915 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3694 2.3864 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 -1.0555 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 -3.1834 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1153 -4.3376 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6331 -3.5322 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1839 -2.9622 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 -1.1377 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 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 28 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 17 1 0 0 0 0 6 19 2 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 19 1 0 0 0 0 11 21 2 0 0 0 0 12 21 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 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 26 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 M END > DB03403 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IERHLVCPSMICTF-XVFCMESISA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O > InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 > IERHLVCPSMICTF-XVFCMESISA-N > C9H14N3O8P > 323.1965 > 323.051850951 > 9 > 35 > -1.9165690650704232 > 26.90371152495837 > 1 > 5 > 0 > 0 > {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid > -2.05 > -2.893402418803893 > -1.30 > 0 > -2 > 2 > -2 > 6.255857057306618 > 1.1524014196659484 > 4.1946623161612715 > 175.13999999999996 > 65.4177 > 4 > 1 > 1.63e+01 g/l > biotin > 0 $$$$