Mrv1572009081522062D 65 66 0 0 1 0 999 V2000 3.8058 16.3641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 16.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3992 16.6153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 17.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 16.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 17.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6893 18.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 17.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2826 18.4909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4817 18.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0461 18.9937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7768 19.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 18.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 18.4296 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 19.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1219 17.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8854 18.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3482 17.8060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.0312 18.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6653 17.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8111 17.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6339 17.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0968 16.4995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9197 16.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3825 15.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2054 15.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5654 16.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6682 15.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4911 15.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9540 14.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7768 14.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2397 14.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0625 14.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5254 13.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3483 13.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8111 12.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6340 12.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0968 12.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9197 12.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3826 11.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2054 11.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6683 10.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4911 10.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9540 10.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8511 11.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7368 15.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 15.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 16.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5539 14.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 14.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3711 14.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 14.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1882 13.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3654 13.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 12.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8175 12.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 11.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 11.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3604 10.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 10.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5432 10.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 19.6245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3800 20.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 19.3138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0426 19.7494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 9 6 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 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 43 45 1 0 0 0 0 23 46 1 6 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 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 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 11 62 1 0 0 0 0 62 63 1 1 0 0 0 62 64 1 0 0 0 0 9 64 1 0 0 0 0 64 65 1 1 0 0 0 M END > M2MDB006851 > M2MDB > CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O > InChI=1S/C45H83N3O15P2/c1-4-5-6-7-8-9-13-18-21-24-27-30-41(50)61-37(33-58-40(49)29-26-23-20-17-15-12-10-11-14-16-19-22-25-28-36(2)3)34-59-64(54,55)63-65(56,57)60-35-38-42(51)43(52)44(62-38)48-32-31-39(46)47-45(48)53/h31-32,36-38,42-44,51-52H,4-30,33-35H2,1-3H3,(H,54,55)(H,56,57)(H2,46,47,53)/t37-,38-,42-,43-,44-/m1/s1 > ZGNQNZHVVNLXEP-YXFATQBYSA-N > C45H83N3O15P2 > 968.113 > 967.529942981 > 12 > 148 > 106.06338693724753 > 0 > 5 > 0 > 0 > {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(17-methyloctadecanoyl)oxy]-2-(tetradecanoyloxy)propoxy]phosphoryl}oxy)phosphinic acid > 6.07 > 9.843768874999999 > -5.24 > 0 > 2 > -2 > 3.27162555362587 > 1.8631673662376511 > -0.031989898217240964 > 263.27 > 244.75910000000007 > 42 > 0 > 5.56e-03 g/l > [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([hydroxy((2R)-3-[(17-methyloctadecanoyl)oxy]-2-(tetradecanoyloxy)propoxy)phosphoryl]oxy)phosphinic acid > 0 > ECMDB24734 > CDP-DG(19:iso/14:0) $$$$