Mrv1652303302019472D 73 74 0 0 1 0 999 V2000 28.3817 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 -13.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6673 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 -12.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9528 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 -11.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2383 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 -10.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5238 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 -10.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8094 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0949 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3804 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5187 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6660 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9515 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2370 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6621 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5226 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8081 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0910 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0936 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8055 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3791 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6647 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2344 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9502 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9489 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2805 -13.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4600 -13.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8068 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0923 -10.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2838 -13.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0923 -9.7180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9982 -14.1450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7654 -14.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2357 -9.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6634 -9.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0845 -14.9655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8914 -15.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3039 -14.4225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6093 -15.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5859 -14.0776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4298 -14.9175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1244 -14.3363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2357 -8.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6634 -10.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4714 -15.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2270 -15.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2738 -15.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8068 -12.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6318 -11.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8548 -12.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1568 -13.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5213 -9.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8068 -10.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2838 -12.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3778 -9.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7519 -13.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9818 -11.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8068 -11.7805 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.5693 -12.4950 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.8068 -10.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3063 -14.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2980 -15.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7153 -15.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5996 -13.6523 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 1 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 16 18 1 4 0 0 0 19 17 2 0 0 0 0 20 18 1 0 0 0 0 19 21 1 4 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 33 31 1 0 0 0 0 34 32 1 0 0 0 0 36 35 2 0 0 0 0 40 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 1 0 0 0 42 35 1 0 0 0 0 43 33 1 0 0 0 0 44 34 1 0 0 0 0 45 41 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 49 42 2 0 0 0 0 50 42 1 0 0 0 0 50 48 2 0 0 0 0 51 36 1 0 0 0 0 47 51 1 1 0 0 0 51 48 1 0 0 0 0 52 43 2 0 0 0 0 53 44 2 0 0 0 0 45 54 1 1 0 0 0 55 46 1 0 0 0 0 56 48 1 0 0 0 0 61 37 1 0 0 0 0 61 43 1 0 0 0 0 62 38 1 0 0 0 0 63 39 1 0 0 0 0 40 64 1 1 0 0 0 64 44 1 0 0 0 0 65 41 1 0 0 0 0 65 47 1 0 0 0 0 67 57 1 0 0 0 0 67 58 2 0 0 0 0 67 62 1 0 0 0 0 67 66 1 0 0 0 0 68 59 1 0 0 0 0 68 60 2 0 0 0 0 68 63 1 0 0 0 0 68 66 1 0 0 0 0 40 69 1 1 0 0 0 41 70 1 6 0 0 0 45 71 1 6 0 0 0 72 46 1 0 0 0 0 47 73 1 6 0 0 0 M END > CDB000863 > CDB > [H][C@@](COC(=O)CCCCCCCC=CCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)C([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCC=CCCCCCC > InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h14,16-17,19,35-36,40-41,45-47,54-55H,3-13,15,18,20-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t40-,41-,45+,46?,47-/m1/s1 > OAHLYURAXDZWKU-KTSAPKHVSA-N > C48H85N3O15P2 > 1006.1471 > 1005.545592089 > 13 > 153 > 111.38058039507698 > 0 > 6 > 0 > 0 > {[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({hydroxy[(2R)-2-(octadec-11-enoyloxy)-3-(octadec-9-enoyloxy)propoxy]phosphoryl}oxy)phosphinic acid > 6.97 > 10.687828687268226 > -5.48 > 0 > 2 > -2 > 3.3455136300308417 > 2.553078641797392 > 1.7769640264507989 > 264.25999999999993 > 272.2602 > 44 > 0 > 3.31e-03 g/l > [(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy([hydroxy((2R)-2-(octadec-11-enoyloxy)-3-(octadec-9-enoyloxy)propoxy)phosphoryl]oxy)phosphinic acid > 0 > CDB000863 > CDP-DG(18:1(9Z)/18:1(11Z)) $$$$