440996 -OEChem-10051720253D 35 35 0 1 0 0 0 0 0999 V2000 4.5768 -0.5639 -0.0026 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 -0.7902 0.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 2.2768 0.4779 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 2.8547 -0.3426 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 -2.3787 0.0769 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -0.4702 -0.3773 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 -0.7264 1.3289 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -0.4912 1.6129 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 0.8854 -0.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 -1.7352 -0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2985 -0.3153 -0.5811 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5438 1.3630 -0.2335 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9934 -0.0622 0.0915 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0894 1.5958 0.1820 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8095 0.4740 -0.3461 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9764 -1.0956 -0.3977 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2475 0.6067 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4562 -0.6230 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6342 -0.8046 -0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 1.5853 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -0.1711 1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0326 1.6544 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 0.4701 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9442 -1.1360 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 0.5585 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 1.5513 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3249 -0.2502 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2775 2.1036 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1645 3.0923 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -3.0393 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4743 -1.2286 -0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9284 0.1645 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3765 -1.4855 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4438 -0.6002 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1072 1.0516 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 12 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 16 1 0 0 0 0 5 30 1 0 0 0 0 6 17 1 0 0 0 0 7 18 2 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M END > DB03951 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BRGMHAYQAZFZDJ-RTRLPJTCSA-N/SDF?record_type=3d > CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O > InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1 > BRGMHAYQAZFZDJ-RTRLPJTCSA-N > C8H16NO9P > 301.1877 > 301.056267627 > 8 > 35 > -1.918544687579514 > 25.799073991001592 > 1 > 6 > 0 > 0 > {[(2R,3S,4R,5R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}phosphonic acid > -2.02 > -3.3441404429999997 > -1.23 > 0 > -2 > 1 > -2 > 6.248988511813621 > 1.2238653768211925 > -1.5727737182052537 > 165.78 > 57.8976 > 4 > 0 > 1.76e+01 g/l > biotin > 0 $$$$