6032 -OEChem-10051719313D 69 71 0 1 0 0 0 0 0999 V2000 2.6158 -0.8606 0.3488 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1404 -0.3285 0.6532 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 0.6181 -0.5143 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 0.6506 -1.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6284 0.0878 -1.1448 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1483 -1.9865 0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9784 2.4268 1.1601 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0873 2.7920 0.9699 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7726 3.1470 1.3816 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5056 0.8850 1.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7377 2.9213 -1.6756 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -3.7306 0.1661 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5087 -3.2045 0.5095 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7496 0.4162 0.8898 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3156 -2.0059 -1.9602 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3893 -1.4734 -0.0582 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1390 -1.2016 0.1224 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2307 -0.5435 0.3201 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2777 -2.8343 0.6420 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2282 -2.5646 0.8212 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0847 -3.4853 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4677 -0.6189 -0.7695 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5788 0.6099 -0.3275 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9362 -0.7186 -0.3510 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3099 0.4224 0.6045 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9935 1.9489 0.2847 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9158 1.7742 -0.0134 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3101 1.8355 1.0505 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4556 1.7549 -0.4934 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3760 1.1539 0.1901 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8439 -0.1477 -0.4248 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8337 -0.7622 -1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0876 3.0221 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 -1.6240 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 -1.3556 -0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.1823 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 -2.6997 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 -2.4172 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1485 -4.4366 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1869 -3.7272 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3153 -1.3869 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 0.8448 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 -0.6552 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 0.2832 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1163 2.6930 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5774 2.0009 -0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1671 1.3097 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7715 1.6753 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2653 -4.6273 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2428 -3.3435 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 -4.0923 1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 -2.6239 0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7058 1.8398 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6571 -0.8800 0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3312 0.3242 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7922 -0.9615 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0167 -0.0699 -2.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7055 3.1266 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2013 3.9142 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0043 -0.4653 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9669 1.1522 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0386 -2.6621 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 2.4726 0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 2.5999 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 3.6423 0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2322 0.2516 1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9567 -2.3574 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4306 -1.8300 -2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5254 3.7354 -2.1631 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 24 1 0 0 0 0 6 62 1 0 0 0 0 7 26 1 0 0 0 0 7 63 1 0 0 0 0 8 27 1 0 0 0 0 8 64 1 0 0 0 0 9 28 1 0 0 0 0 9 65 1 0 0 0 0 10 30 1 0 0 0 0 10 66 1 0 0 0 0 11 33 1 0 0 0 0 11 69 1 0 0 0 0 12 19 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 20 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 25 1 0 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 15 32 1 0 0 0 0 15 67 1 0 0 0 0 15 68 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 26 1 0 0 0 0 23 42 1 0 0 0 0 24 25 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 29 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 28 47 1 0 0 0 0 29 33 1 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END > DB01172 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SBUJHOSQTJFQJX-NOAMYHISSA-N/SDF?record_type=3d > NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 > SBUJHOSQTJFQJX-NOAMYHISSA-N > C18H36N4O11 > 484.4986 > 484.238058014 > 15 > 69 > 3.7503292976414992 > 47.57320335432158 > 0 > 11 > 0 > 0 > (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-{[(1R,2R,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-3,4,5-triol > -3.10 > -7.060913449000002 > -0.72 > 1 > 4 > 3 > 4 > 12.74643646335722 > 12.109274520068217 > 9.53863386649217 > 282.60999999999996 > 106.13449999999996 > 6 > 0 > 9.23e+01 g/l > tetrahydrofolic acid > 0 $$$$