Mrv0541 08131209112D 71 72 0 0 0 0 999 V2000 10.1428 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5782 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8573 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8638 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5718 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1493 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2862 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4348 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0007 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7204 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7152 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0059 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4296 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2914 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1441 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5769 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8586 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5731 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8625 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2875 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0020 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1480 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7165 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4335 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4309 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7191 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1454 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0046 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8599 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2901 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5743 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5756 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6204 -16.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7999 -16.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7178 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4322 -13.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6237 -17.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4322 -13.0777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.3381 -17.5047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.1053 -17.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2888 -12.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8612 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4244 -18.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2314 -18.4967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.6439 -17.7822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.9493 -18.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9258 -17.4372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7697 -18.2772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.4643 -17.6960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2888 -11.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8612 -13.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8113 -18.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5669 -19.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6137 -19.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1467 -15.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9717 -15.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1947 -15.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4967 -16.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0033 -13.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1467 -14.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6237 -16.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1467 -12.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0918 -17.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3217 -15.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1467 -15.1402 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.9092 -15.8547 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.7178 -13.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8416 -18.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5995 -18.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7122 -19.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0932 -18.4741 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 20 1 0 0 0 0 22 19 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 > BMDB0006977 > bmdb > [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(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)CCCCCCCCCCCCCCC > InChI=1S/C46H85N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-41(50)59-35-38(62-42(51)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)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 > IYHZDHRWSOSUSF-KCZZRERPSA-N > C46H85N3O15P2 > 982.1257 > 981.545592089 > 13 > 108.97718713755894 > 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)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy]phosphinic acid > 6.54 > 9.825050826019076 > -5.34 > 0 > 2 > -2 > 3.2444605362736954 > 2.544650492395584 > 1.7745969025331072 > 264.25999999999993 > 260.8250000000001 > 44 > 0 > 4.48e-03 g/l > {[(2R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(2R)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxyphosphinic acid > 0 > BMDB0006977 > CDP-DG(18:0/16:0) > 1-octadecanoyl-2-hexadecanoyl-sn-glycero-3-CDP; 1-stearoyl-2-palmitoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(18:0/16:0); CDP-DG(34:0); CDP-Diacylglycerol(18:0/16:0); CDP-Diacylglycerol(34:0) $$$$