444475 -OEChem-10051720243D 28 29 0 1 0 0 0 0 0999 V2000 -3.1216 -0.0332 -1.8148 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 1.7148 0.4423 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0415 2.4955 -0.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 0.4046 -0.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4883 -2.1494 0.0368 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6553 -1.1253 0.1916 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9337 1.2333 0.0071 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7527 -0.2069 0.3483 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8489 -0.5374 -0.4964 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5587 0.3800 0.5334 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3811 -0.7052 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -0.0930 1.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 0.2026 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 -1.0483 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 -1.9583 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 1.4002 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 0.0260 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3319 -1.5219 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6257 0.4244 0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -0.0238 2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 0.5433 2.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7355 -1.1251 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4386 -2.8599 -0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 -2.0399 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0877 -0.0023 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5669 2.2588 1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4212 0.5557 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1145 -1.1457 0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 16 2 0 0 0 0 4 11 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 24 1 0 0 0 0 7 16 1 0 0 0 0 7 17 2 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 15 23 1 0 0 0 0 M END > DB03886 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LHQIJBMDNUYRAM-AWFVSMACSA-N/SDF?record_type=3d > C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1 > InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1 > LHQIJBMDNUYRAM-AWFVSMACSA-N > C9H11N5O3 > 237.2153 > 237.086189243 > 7 > 28 > -0.0010329709326894604 > 22.413339566517323 > 1 > 4 > 0 > 0 > 2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-3,4-dihydropteridin-4-one > -1.12 > -1.7054239406666662 > -1.81 > 0 > 0 > 2 > 0 > 12.632745521210676 > 9.986441271471117 > -0.6607095245267692 > 133.72000000000003 > 58.56649999999999 > 2 > 1 > 3.71e+00 g/l > tetrahydrofolic acid > 0 $$$$