444528 -OEChem-10051720133D 40 40 0 1 0 0 0 0 0999 V2000 3.9570 0.7854 0.5071 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 2.8651 -0.1987 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4648 -0.7503 0.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 1.5754 -0.1876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 1.2862 -0.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 -3.0897 -1.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5558 1.3239 1.8495 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3869 3.5667 -0.1233 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4148 3.0346 1.3041 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 3.3760 -1.2827 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6758 -0.0284 -0.1184 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2639 -2.9803 0.8481 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 0.8375 -0.7466 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5231 -0.2740 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4566 -1.2220 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 -0.7273 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 2.2334 -1.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3289 -2.5846 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6537 0.7291 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2532 -3.4174 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3494 -1.6430 1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -4.8966 -0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0628 0.3759 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 -0.6964 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 0.6514 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 0.3951 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9779 2.8854 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4236 2.2317 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6815 2.6881 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.8688 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7059 1.2715 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1729 -1.3253 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2184 -5.2839 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9709 -5.4038 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 -5.1593 -1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 -1.0202 1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 1.7231 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -4.0568 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3308 4.5458 -0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7824 3.9022 1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 1 13 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 5 19 1 0 0 0 0 6 18 1 0 0 0 0 6 38 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END > DB03327 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WHDCJKAOZPBUAY-SSDOTTSWSA-N/SDF?record_type=3d > [H][C@@](C)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)P(O)(O)=O > InChI=1S/C10H18N2O8P2/c1-6-10(13)9(4-12-7(2)21(14,15)16)8(3-11-6)5-20-22(17,18)19/h3,7,12-13H,4-5H2,1-2H3,(H2,14,15,16)(H2,17,18,19)/t7-/m1/s1 > WHDCJKAOZPBUAY-SSDOTTSWSA-N > C10H18N2O8P2 > 356.206 > 356.053838586 > 9 > 40 > -2.1448922919654456 > 30.387018319242927 > 1 > 6 > 0 > 0 > [(1R)-1-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]ethyl]phosphonic acid > -0.70 > -5.218286689293825 > -1.95 > 0 > -2 > 1 > -2 > 1.7449943873640816 > -0.6071940791829511 > 8.991111089926541 > 169.44 > 76.73589999999999 > 7 > 0 > 3.98e+00 g/l > tetrahydrofolic acid > 0 $$$$