Mrv0541 08131209112D 75 76 0 0 0 0 999 V2000 17.1985 3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9514 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4840 2.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2369 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7696 3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5225 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0551 2.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8080 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3406 3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0935 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6261 2.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9117 3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6646 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 2.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9501 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2356 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4827 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7683 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8067 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0538 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3393 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3778 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6248 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6633 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9104 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4814 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5646 5.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2559 5.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 2.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 6.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 2.0407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7176 6.4677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0495 6.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 2.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 7.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8244 7.4597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4119 6.7452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1065 7.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 6.4003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 7.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 6.6590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 2.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2445 7.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 8.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 8.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0841 4.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 4.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5591 5.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0525 2.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 3.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 5.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 1.6282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 6.1321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7341 4.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 4.1032 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.1466 4.8177 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.9117 4.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4827 3.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 2.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2141 7.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4563 7.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 8.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 7.4371 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 16 1 0 0 0 0 19 17 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 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 54 45 1 0 0 0 0 46 55 1 6 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 6 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 69 13 1 0 0 0 0 70 15 1 0 0 0 0 40 71 1 6 0 0 0 41 72 1 6 0 0 0 73 45 1 0 0 0 0 46 74 1 1 0 0 0 47 75 1 6 0 0 0 M END > BMDB0006987 > bmdb > [H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(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/C48H87N3O15P2/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/h13,15,35-36,40-41,45-47,54-55H,3-12,14,16-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b15-13-/t40-,41-,45?,46-,47-/m1/s1 > DJBNZGPJCVNART-MDFJDLAVSA-N > C48H87N3O15P2 > 1008.163 > 1007.561242153 > 13 > 112.34557567203964 > 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-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy]phosphinic acid > 7.01 > 10.352266499387536 > -5.48 > 0 > 2 > -2 > 3.2444605362736954 > 2.544650492395584 > 1.7745969025331072 > 264.25999999999993 > 271.14360000000005 > 45 > 0 > 3.32e-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-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxyphosphinic acid > 0 > BMDB0006987 > CDP-DG(18:1(11Z)/18:0) > 1-(11Z-octadecenoyl)-2-octadecanoyl-sn-glycero-3-CDP; 1-vaccenoyl-2-stearoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(18:1/18:0); CDP-DG(18:1n7/18:0); CDP-DG(18:1w7/18:0); CDP-DG(36:1); CDP-Diacylglycerol(18:1/18:0); CDP-Diacylglycerol(18:1n7/18:0); CDP-Diacylglycerol(18:1w7/18:0); CDP-Diacylglycerol(36:1) $$$$