CDP-DG(12:0/14:1(11Z)) Mrv1652306201616442D 59 60 0 0 1 0 999 V2000 17.4451 -4.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4838 -4.5706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5226 -4.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4061 -4.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5612 -4.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7337 -5.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3206 -5.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4768 -4.2072 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.4768 -5.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8027 -4.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4768 -3.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8732 -4.1777 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.8732 -5.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1992 -4.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8732 -3.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1589 -6.7486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.8306 -6.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7371 -5.8702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0550 -5.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1058 -5.8608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.8357 -7.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1528 -7.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1017 -5.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4120 -3.3822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4120 -4.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6975 -2.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6975 -4.6197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9830 -3.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9830 -4.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6976 -2.1447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1119 -4.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8468 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8468 -3.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1327 -4.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4185 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7044 -4.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9903 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2762 -4.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5620 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8479 -4.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1337 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4196 -4.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9913 -4.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0193 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0193 -6.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3052 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5910 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8769 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1627 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4486 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7344 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0203 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0529 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3387 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 1 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 8 4 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 12 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 0 18 19 1 0 0 0 0 18 17 1 0 0 0 0 18 27 1 1 0 0 0 19 20 1 0 0 0 0 20 16 1 0 0 0 0 20 23 1 1 0 0 0 21 17 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 31 2 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 32 5 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 45 6 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 M END > YMDB12102 > YMDB > [H][C@@](COC(=O)CCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CC > InChI=1S/C38H67N3O15P2/c1-3-5-7-9-11-13-14-16-18-20-22-24-34(43)54-30(27-51-33(42)23-21-19-17-15-12-10-8-6-4-2)28-52-57(47,48)56-58(49,50)53-29-31-35(44)36(45)37(55-31)41-26-25-32(39)40-38(41)46/h5,7,25-26,30-31,35-37,44-45H,3-4,6,8-24,27-29H2,1-2H3,(H,47,48)(H,49,50)(H2,39,40,46)/b7-5-/t30-,31-,35+,36?,37-/m1/s1 > ZNWKNULGWHUALC-QJFVKFEPSA-N > C38H67N3O15P2 > 867.908 > 867.404742465 > 12 > 125 > 91.8301838233505 > 0 > 5 > 0 > 0 > {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-3-(dodecanoyloxy)-2-[(11Z)-tetradec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid > 4.43 > 6.527416132000001 > -4.33 > 0 > 2 > -2 > 3.2716255536258676 > 1.8631673662376511 > -0.03198989821723941 > 263.27 > 213.72110000000004 > 35 > 0 > 4.06e-02 g/l > [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([(2R)-3-(dodecanoyloxy)-2-[(11Z)-tetradec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy)phosphinic acid > 0 > YMDB12102 > CDP-DG(12:0/14:1(11Z)) $$$$