Mrv0541 08131209102D 71 72 0 0 0 0 999 V2000 -10.3303 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1051 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6158 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3906 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9014 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6762 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1869 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9617 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4724 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2472 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7580 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5328 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0435 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8183 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1038 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6145 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9001 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3893 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1856 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6749 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9604 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7567 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2459 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5315 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3277 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8170 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3867 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1025 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 5.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 5.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9591 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 5.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 1.6995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3387 6.1265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4284 6.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2525 6.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 7.1185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0330 6.4040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2724 6.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2489 6.0591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0929 6.8990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 6.3178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 0.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 2.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 7.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 7.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0632 7.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 3.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 4.0640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 5.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6736 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 2.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 4.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 1.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 5.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 3.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 3.7620 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7677 4.4765 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.9591 2.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 6.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 6.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9647 7.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 7.0960 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 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 6 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 38 67 1 6 0 0 0 39 68 1 6 0 0 0 69 43 1 0 0 0 0 44 70 1 1 0 0 0 45 71 1 6 0 0 0 M END > BMDB0006969 > bmdb > [H][C@@](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)OC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C46H85N3O15P2/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/h33-34,38-39,43-45,52-53H,3-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/t38-,39-,43?,44-,45-/m1/s1 > YRTWPVQQBUGHEO-KCZZRERPSA-N > C46H85N3O15P2 > 982.1257 > 981.545592089 > 13 > 109.09891874223133 > 0 > 6 > 0 > 0 > [({[(2R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy]phosphinic acid > 6.53 > 9.825050826019076 > -5.34 > 0 > 2 > -2 > 3.2444605362736954 > 2.544650492395584 > 1.7745969025331072 > 264.25999999999993 > 260.8250000000001 > 44 > 0 > 4.49e-03 g/l > {[(2R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxyphosphinic acid > 0 > BMDB0006969 > CDP-DG(16:0/18:0) > 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-CDP; 1-palmitoyl-2-stearoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(16:0/18:0); CDP-DG(34:0); CDP-Diacylglycerol(16:0/18:0); CDP-Diacylglycerol(34:0) $$$$