CDP-DG(10:0/18:1(9Z)) Mrv1652308101904232D 61 62 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 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 8.4812 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 -5.6800 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 4.9104 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -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 43 6 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 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 2 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 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > YMDB12080 > YMDB > [H][C@@](COC(=O)CCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C40H71N3O15P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-36(45)56-32(29-53-35(44)25-23-21-19-10-8-6-4-2)30-54-59(49,50)58-60(51,52)55-31-33-37(46)38(47)39(57-33)43-28-27-34(41)42-40(43)48/h14-15,27-28,32-33,37-39,46-47H,3-13,16-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/b15-14-/t32-,33-,37+,38?,39-/m1/s1 > FLJRARCWJKADKH-LCSAIAEWSA-N > C40H71N3O15P2 > 895.962 > 895.436042594 > 12 > 131 > 95.55518464556349 > 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-(decanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid > 5.00 > 7.416553462000001 > -4.69 > 0 > 2 > -2 > 3.2716255536258676 > 1.8631673662376511 > -0.03198989821723941 > 263.27 > 222.92310000000003 > 37 > 0 > 1.83e-02 g/l > [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([(2R)-3-(decanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy)phosphinic acid > 0 > YMDB12080 > CDP-DG(10:0/18:1(9Z)) $$$$