439318 -OEChem-10061700273D 70 72 0 1 0 0 0 0 0999 V2000 -1.2799 -0.3858 -0.5446 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 -0.9279 0.4073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -3.4720 -1.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4485 0.4220 -1.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 -0.5317 -0.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -0.0479 3.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3437 3.9502 -0.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1766 3.1102 1.4667 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0856 3.0948 -0.4059 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 -0.2739 -2.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 -3.9179 -0.0954 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 -4.4943 0.9193 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1306 1.7508 -2.0501 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 2.6952 2.4386 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5703 -0.3834 0.6183 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -1.7778 -0.8695 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0771 -2.2651 -0.0134 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1399 -2.2056 -1.2323 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8947 -2.5617 0.3122 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4994 -3.0544 1.1768 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9303 -2.5885 1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 0.3634 -1.4557 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6757 -0.8179 0.9375 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5307 1.7846 -1.6256 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7244 0.2574 2.0251 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6801 2.5852 -0.3273 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4894 1.6504 1.4260 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1288 2.5214 0.1693 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6336 1.0744 0.2227 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4569 1.8873 0.2546 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4145 0.7159 -0.7397 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1224 0.9992 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 0.8433 -1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9379 -1.9685 -1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -2.7426 -0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5543 -1.4838 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8114 -2.0572 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 -2.8690 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3481 -3.2074 2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8718 -1.5730 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 -0.0964 -2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9733 -1.7640 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 2.2925 -2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 0.2380 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 2.2249 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 1.7361 1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 3.1248 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0881 0.5209 0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4786 2.0072 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 0.6671 -1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9606 -3.8771 -0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6991 -4.4048 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 -5.0019 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 -4.7825 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4479 -3.3758 -2.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 1.4893 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7042 1.5106 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0536 1.2648 -2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 2.7011 -2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 1.7574 -2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 0.8372 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 3.6063 2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 2.5596 3.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 -0.9241 3.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9419 4.2854 -1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 2.5656 2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1871 2.9789 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5792 -0.4077 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3942 -0.8464 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0748 -0.1741 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 18 1 0 0 0 0 3 55 1 0 0 0 0 4 22 1 0 0 0 0 4 29 1 0 0 0 0 5 23 1 0 0 0 0 5 31 1 0 0 0 0 6 25 1 0 0 0 0 6 64 1 0 0 0 0 7 26 1 0 0 0 0 7 65 1 0 0 0 0 8 28 1 0 0 0 0 8 66 1 0 0 0 0 9 30 1 0 0 0 0 9 67 1 0 0 0 0 10 33 1 0 0 0 0 10 70 1 0 0 0 0 11 19 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 20 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 24 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 27 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 15 32 1 0 0 0 0 15 68 1 0 0 0 0 15 69 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 26 45 1 0 0 0 0 27 30 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 32 1 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 33 1 0 0 0 0 31 50 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END > DB13673 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SKKLOUVUUNMCJE-FQSMHNGLSA-N/SDF?record_type=3d > [H][C@]1(N)C[C@@]([H])(N)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(N)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O[C@@]1([H])O[C@]([H])(CN)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N > InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1 > SKKLOUVUUNMCJE-FQSMHNGLSA-N > C18H37N5O10 > 483.5139 > 483.254042429 > 15 > 70 > 4.671660015860383 > 47.71634365313932 > 0 > 11 > 0 > 0 > (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2S,3S,4R,6S)-4,6-diamino-3-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}oxane-3,4-diol > -3.01 > -7.167795245666667 > -0.80 > 1 > 5 > 3 > 5 > 13.004813227227414 > 12.48785126981169 > 9.555562744007489 > 288.4 > 107.79199999999999 > 6 > 0 > 7.59e+01 g/l > biotin > 0 $$$$