444189 -OEChem-10051720253D 37 37 0 1 0 0 0 0 0999 V2000 -2.2520 -0.8677 0.9215 P 0 0 2 0 0 0 0 0 0 0 0 0 4.6915 -1.5325 -0.3174 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.6897 -0.5768 -0.6993 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.7345 0.6353 0.6089 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9584 3.5187 -0.2939 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 2.6697 -0.8766 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3127 -0.7242 -0.5769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 -0.8095 0.6594 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1456 -1.0026 2.5302 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5428 -1.9507 0.1613 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8256 -0.4347 -0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7717 -1.6471 1.2937 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 -2.8309 -1.0599 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2177 -0.8095 -0.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3594 -1.8951 -1.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4242 0.7309 -1.3847 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 1.0738 -0.3141 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4377 2.3987 0.3959 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5943 0.1341 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 0.9877 0.8567 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0870 2.4200 0.4300 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1187 0.5122 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 1.2127 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8387 2.4048 1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1803 0.8730 1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1365 -0.2509 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9148 -0.7328 0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4985 3.1754 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1656 0.3550 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 1.2113 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 3.5332 -1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 1.9289 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -1.2032 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7669 -0.7107 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5001 -2.1658 1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9432 -0.6393 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6991 -1.9531 -2.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 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 7 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 2 0 0 0 0 4 20 1 0 0 0 0 5 18 1 0 0 0 0 5 31 1 0 0 0 0 6 21 1 0 0 0 0 6 32 1 0 0 0 0 7 22 1 0 0 0 0 9 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 M END > DB03942 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OICBXEWBKALHHB-MOJAZDJTSA-N/SDF?record_type=3d > [H][C@]1(O)[C@@]([H])(O)[C@]([H])(C[C@]1([H])COP(O)(O)=O)OP(O)(=O)OP(O)(O)=O > InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1 > OICBXEWBKALHHB-MOJAZDJTSA-N > C6H15O13P3 > 388.0968 > 387.972550102 > 10 > 37 > -4.2384616950482945 > 28.35436767000228 > 0 > 7 > 0 > 0 > [({[(1S,2R,3R,4R)-2,3-dihydroxy-4-[(phosphonooxy)methyl]cyclopentyl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid > -0.83 > -3.0127620210000003 > -1.47 > 0 > -4 > 1 > -5 > 2.0363418805307987 > 1.4488196178122983 > -3.3231609622256584 > 220.50999999999996 > 66.3177 > 7 > 0 > 1.31e+01 g/l > biotin > 0 $$$$