4369489 -OEChem-10051720413D 44 44 0 1 0 0 0 0 0999 V2000 2.9529 3.0590 -0.1725 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8621 1.4535 -0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 -3.2741 1.5586 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9957 2.6271 1.9467 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 2.2825 -0.1934 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5770 -0.3699 -2.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0843 -0.7284 -0.0987 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3017 3.2396 -1.7412 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 3.5440 -0.0756 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 3.7408 0.7701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 -0.4362 0.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -2.8508 -0.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 0.3758 1.1554 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1987 -0.4798 1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4942 -0.0014 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 -1.3077 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0538 -0.7163 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8841 0.0905 -0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 -2.6698 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7474 1.8371 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9831 0.7374 -0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 -3.3905 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9732 -1.5243 -1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -0.3817 -0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 -4.8564 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 0.2081 2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0739 -0.8680 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 0.5295 1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6822 -1.0252 1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1721 0.6420 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 -1.3870 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 1.1293 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 -0.5242 -1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 0.8967 -1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9676 1.1329 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6558 -1.1224 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.0468 1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -5.2753 -0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5036 -5.3841 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2996 -2.7693 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 3.5705 1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4930 -0.6734 -2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5018 4.1371 -2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 4.5048 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 21 1 0 0 0 0 3 19 1 0 0 0 0 3 40 1 0 0 0 0 4 20 1 0 0 0 0 4 41 1 0 0 0 0 5 20 2 0 0 0 0 6 24 1 0 0 0 0 6 42 1 0 0 0 0 7 24 2 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 12 22 2 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 21 1 0 0 0 0 17 23 2 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 23 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END > DB04762 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JMRKOGDJNHPMHS-SNVBAGLBSA-N/SDF?record_type=3d > CC1=NC=C(COP(O)(O)=O)C(CN[C@H](CCC(O)=O)C(O)=O)=C1O > InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/t10-/m1/s1 > JMRKOGDJNHPMHS-SNVBAGLBSA-N > C13H19N2O9P > 378.2717 > 378.082816728 > 10 > 44 > -2.971553785680569 > 33.651964378888124 > 1 > 6 > 0 > 0 > (2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanedioic acid > -2.14 > -4.763635149795057 > -2.66 > 0 > -3 > 1 > -3 > 1.9145271559823105 > 0.9767388551712616 > 9.839929981858603 > 186.51 > 82.77919999999999 > 10 > 0 > 8.19e-01 g/l > tetrahydrofolic acid > 0 $$$$