44257 -OEChem-10051719133D 32 33 0 1 0 0 0 0 0999 V2000 -2.5286 -0.9544 1.4558 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0384 0.7211 -1.4404 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8772 -2.5680 -0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2797 -0.8332 -0.2015 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2477 1.8230 0.1871 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 1.3108 0.1298 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 -0.8930 -0.1225 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8952 0.9374 0.1058 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4017 0.0849 -0.3765 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6906 -0.5765 0.0915 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1276 1.3914 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 0.3351 -0.0732 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0176 -0.3778 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3052 0.9326 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2045 -0.3477 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -1.3753 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 0.3896 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4682 0.3180 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8484 -1.4958 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 2.1893 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 1.2600 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4095 -1.8190 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 1.2409 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4885 2.7958 0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3927 -1.2442 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0609 0.3180 0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1763 -0.6323 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 -1.5425 1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 2.2987 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8013 1.3203 -1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 0.3582 0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 1.9355 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 28 1 0 0 0 0 2 12 1 0 0 0 0 2 30 1 0 0 0 0 3 16 2 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 24 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 29 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 31 1 0 0 0 0 8 32 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 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M END > DB00360 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FNKQXYHWGSIFBK-RPDRRWSUSA-N/SDF?record_type=3d > [H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O > InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1 > FNKQXYHWGSIFBK-RPDRRWSUSA-N > C9H15N5O3 > 241.2471 > 241.117489371 > 7 > 32 > -0.1314588926110758 > 23.61478207669009 > 1 > 6 > 0 > 0 > (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3,4,5,6,7,8-hexahydropteridin-4-one > -1.82 > -2.3211264380000003 > -2.07 > 0 > 0 > 2 > 0 > 13.533277768426524 > 7.819999871149968 > 0.820031387832589 > 132.0 > 68.6334 > 2 > 0 > 2.03e+00 g/l > biotin > 0 $$$$