Ketcher 08091817192D 1 1.00000 0.00000 0 33 35 0 0 0 999 V2000 3.7008 0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9447 0.6098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 0.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 -0.9398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0217 0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3189 1.5998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4801 0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 -1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 0.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5928 -0.7309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2737 0.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.3432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4176 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7268 -0.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 -1.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2739 -0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 -0.0083 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 -0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 0.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2687 -0.0041 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.2711 -0.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -1.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 -2.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 -3.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7829 -4.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0705 -4.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -2.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2926 -1.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 5 2 1 1 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 5 11 1 0 0 0 8 12 1 0 0 0 8 13 2 0 0 0 9 14 1 0 0 0 10 15 1 0 0 0 11 16 1 0 0 0 15 17 1 1 0 0 16 18 1 6 0 0 17 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 23 2 0 0 0 21 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 2 0 0 0 6 7 2 0 0 0 9 12 1 0 0 0 15 16 1 0 0 0 14 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 29 31 2 0 0 0 28 32 1 0 0 0 11 33 1 6 0 0 M CHG 3 22 -1 25 -1 26 -1 M END > CHEBI:141573 > N(2)-(1-hydroxy-2-oxopropyl)-GDP(3-) > Major microspecies at pH 7.3 > 2 > N(2)-(1-hydroxy-2-oxopropyl)-GDP > C13H16N5O13P2 > 512.240 > 512.02363 > -3 > C=12N([C@@H]3O[C@H](COP(OP([O-])([O-])=O)([O-])=O)[C@H]([C@H]3O)O)C=NC1C(NC(=N2)NC(C(C)=O)O)=O > InChI=1S/C13H19N5O13P2/c1-4(19)10(22)16-13-15-9-6(11(23)17-13)14-3-18(9)12-8(21)7(20)5(30-12)2-29-33(27,28)31-32(24,25)26/h3,5,7-8,10,12,20-22H,2H2,1H3,(H,27,28)(H2,24,25,26)(H2,15,16,17,23)/p-3/t5-,7-,8-,10?,12-/m1/s1 > DBIZLPJAHXOSTG-OOPGLKBPSA-K > 28596309 $$$$