5288499 -OEChem-10051719533D 50 51 0 1 0 0 0 0 0999 V2000 5.5904 -1.0509 0.7881 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 5.1099 -0.1818 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9404 0.2647 1.6863 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 2.0486 0.0198 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5403 -0.3659 -0.8463 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 -2.0399 0.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 1.3118 -1.7671 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.1011 0.5097 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 3.8509 -0.5254 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9562 -0.6980 0.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5534 -1.0678 -2.9529 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 0.3435 1.1683 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6639 -1.6419 -0.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1018 -1.9029 1.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1962 6.2752 -0.7537 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9297 5.1127 1.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 4.7592 -0.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1003 -0.1640 2.4665 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6503 -0.0030 2.3203 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0622 1.6096 1.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1651 -5.2185 -1.0824 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1192 -4.7344 1.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2346 -0.9862 -0.3046 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5906 0.1374 -0.1392 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7815 -0.7798 -0.4362 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0677 -0.1698 0.1188 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8822 1.5835 -0.5599 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2460 1.2719 -0.3593 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5814 -0.7536 0.0474 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2167 2.5428 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9413 -0.5436 -0.6302 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1713 -1.5509 -1.7632 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5922 -2.8921 -1.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -3.0792 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3172 -4.4779 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4577 0.1129 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 -0.9731 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9954 -0.1896 1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 1.6578 -1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1119 1.7341 0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.0774 0.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3043 2.5316 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1795 2.2632 -0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4556 -0.9289 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 0.4715 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3394 -2.5950 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2454 -1.6553 -1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 2.1246 -1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8726 -3.7131 -2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 -1.7023 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 1 14 2 0 0 0 0 1 23 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 2 16 2 0 0 0 0 2 17 2 0 0 0 0 3 10 1 0 0 0 0 3 18 1 0 0 0 0 3 19 2 0 0 0 0 3 20 2 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 24 1 0 0 0 0 5 29 1 0 0 0 0 6 25 1 0 0 0 0 6 46 1 0 0 0 0 7 28 1 0 0 0 0 7 48 1 0 0 0 0 8 29 1 0 0 0 0 8 34 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 50 1 0 0 0 0 21 35 1 0 0 0 0 22 35 2 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 26 28 1 0 0 0 0 26 38 1 0 0 0 0 27 30 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 29 31 1 0 0 0 0 29 41 1 0 0 0 0 30 42 1 0 0 0 0 30 43 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 32 33 1 0 0 0 0 32 47 1 0 0 0 0 33 34 2 0 0 0 0 33 49 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 4 12 -1 15 -1 18 -1 21 -1 M END > DB02322 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LRPGJWKAYQRIAQ-GYBHJADLSA-J/SDF?record_type=3d > [H][C@]1(O)O[C@]([H])(COS([O-])(=O)=O)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O > InChI=1S/C12H19NO19S3/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27)/p-4/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1 > LRPGJWKAYQRIAQ-GYBHJADLSA-J > C12H15NO19S3 > 573.438 > 572.940039373 > 17 > 50 > -4.015689672888571 > 45.4359284450373 > 0 > 4 > -4 > 0 > (2R,3R,4S)-2-{[(2R,3S,4R,5R,6S)-4,6-dihydroxy-5-(sulfonatoamino)-2-[(sulfonatooxy)methyl]oxan-3-yl]oxy}-4-hydroxy-3-(sulfonatooxy)-3,4-dihydro-2H-pyran-6-carboxylate > -1.17 > -9.686356356675912 > -1.73 > 0 > -4 > 2 > -4 > -2.0145016591203904 > -2.549781056136035 > -3.48899047774846 > 330.6000000000001 > 107.96229999999994 > 9 > 0 > 1.20e+01 g/l > tetrahydrofolic acid > 0 $$$$