Marvin 08191017002D 37 38 0 0 1 0 999 V2000 13.7872 -8.2455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5777 -7.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1445 -7.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5466 -9.0532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1964 -8.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7496 -7.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4743 -8.2661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7183 -9.0532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0312 -9.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9834 -8.2765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0313 -9.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 -6.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6873 -8.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2303 -9.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1518 -7.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1029 -8.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2816 -8.5858 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.4602 -8.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2782 -9.4072 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.2782 -7.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6387 -8.5825 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.6318 -9.4038 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6318 -7.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9355 -7.2111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 -8.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 -8.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9561 -8.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9561 -9.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3851 -8.5825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3851 -9.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0871 -7.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 -8.1700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2540 -7.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0635 -6.7615 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4290 -6.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 -6.7615 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 -5.9365 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 13 1 1 0 0 0 7 8 1 0 0 0 0 8 14 1 6 0 0 0 10 15 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 23 2 0 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 29 32 1 0 0 0 0 32 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 6 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 2 0 0 0 0 36 37 1 0 0 0 0 M CHG 4 19 -1 22 -1 34 -1 37 -1 M END > CHEBI:57919 > 4-CDP-2-C-methyl-D-erythritol 2-phosphate(4-) > Tetraanion of 4-CDP-2-C-methyl-D-erythritol 2-phosphate arising from deprotonation of phosphate and diphosphate groups; major species at pH 7.3. > 3 > 4-CDP-2-C-methyl-D-erythritol 2-phosphate tetraanion; 4-CDP-2-C-methyl-D-erythritol 2-phosphate > 5'-O-[{[{[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphinatooxy)butyl]oxy}(hydroxy)phosphinato]oxy}(hydroxy)phosphoryl]cytidine > C14H22N3O17P3 > 597.25570 > 597.01840 > -4 > C[C@@](CO)(OP([O-])([O-])=O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O > InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/p-4/t7-,8-,10-,11-,12-,14+/m1/s1 > HTJXTKBIUVFUAR-XHIBXCGHSA-J $$$$