Mrv1572004261606582D 73 74 0 0 1 0 999 V2000 33.6143 -17.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0368 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6143 -17.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7513 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8999 -16.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4657 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8999 -15.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1802 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1854 -15.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8947 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1854 -14.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6092 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4709 -14.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3236 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4709 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0381 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7565 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0420 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7526 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3275 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6130 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1815 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8986 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8960 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1841 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6105 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4696 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3249 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7552 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0394 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0407 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0854 -17.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2649 -17.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1828 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8973 -14.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0887 -17.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8973 -13.4039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.8032 -17.8309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.5703 -17.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7539 -12.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3262 -13.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8894 -18.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6964 -18.8229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.1089 -18.1085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.4143 -18.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3908 -17.7635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2348 -18.6034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.9294 -18.0222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7539 -12.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3262 -14.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2763 -19.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0320 -19.5766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0787 -19.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6118 -16.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4368 -15.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6598 -15.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9618 -16.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4683 -13.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6118 -14.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0887 -16.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6118 -12.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5569 -17.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7868 -15.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6118 -15.4664 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.3743 -16.1809 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 30.7565 -14.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.1854 -12.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1828 -13.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1113 -18.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1030 -19.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5203 -18.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4046 -17.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 34 33 2 0 0 0 0 38 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 1 0 0 0 40 33 1 0 0 0 0 41 31 1 0 0 0 0 42 32 1 0 0 0 0 43 39 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 47 40 2 0 0 0 0 48 40 1 0 0 0 0 48 46 2 0 0 0 0 49 34 1 0 0 0 0 45 49 1 1 0 0 0 49 46 1 0 0 0 0 50 41 2 0 0 0 0 51 42 2 0 0 0 0 52 43 1 0 0 0 0 44 53 1 1 0 0 0 54 46 1 0 0 0 0 59 35 1 0 0 0 0 59 41 1 0 0 0 0 60 36 1 0 0 0 0 61 37 1 0 0 0 0 38 62 1 6 0 0 0 62 42 1 0 0 0 0 63 39 1 0 0 0 0 63 45 1 0 0 0 0 65 55 1 0 0 0 0 65 56 2 0 0 0 0 65 60 1 0 0 0 0 65 64 1 0 0 0 0 66 57 1 0 0 0 0 66 58 2 0 0 0 0 66 61 1 0 0 0 0 66 64 1 0 0 0 0 67 13 1 0 0 0 0 68 15 1 0 0 0 0 38 69 1 6 0 0 0 39 70 1 6 0 0 0 71 43 1 0 0 0 0 44 72 1 6 0 0 0 45 73 1 6 0 0 0 M END > CHEM036320 > chemdb > [H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@@]([H])(O)C1([H])O > InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h13,15,33-34,38-39,43-45,52-53H,3-12,14,16-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b15-13+/t38-,39-,43?,44+,45-/m1/s1 > SUOOPPGQEZMSRO-WUEPOATESA-N > C46H83N3O15P2 > 980.124 > 979.529942981 > 13 > 149 > 108.2235411001516 > 0 > 6 > 0 > 0 > {[(2R,4S,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[(2R)-3-(hexadecanoyloxy)-2-[(11E)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid > 6.61 > 10.160613013476112 > -5.31 > 0 > 2 > -2 > 3.3455136300308417 > 2.553078641797392 > 1.7769640264507989 > 264.25999999999993 > 261.9416000000001 > 43 > 0 > 4.84e-03 g/l > [(2R,4S,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy([(2R)-3-(hexadecanoyloxy)-2-[(11E)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy)phosphinic acid > 0 > CDP-DG(16:0/18:1(11Z)) $$$$