Mrv0541 08131209102D 81 82 0 0 0 0 999 V2000 19.3026 15.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1952 15.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0821 15.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8189 14.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7058 15.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5984 14.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4853 15.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2221 14.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1090 15.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0016 14.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8885 15.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6253 14.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0444 16.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4048 14.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4208 16.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0285 13.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5767 17.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3562 17.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9799 17.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7594 17.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8080 14.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3831 17.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4316 13.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2272 16.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2112 13.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8508 15.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8348 13.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6949 14.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6144 13.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9153 14.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2380 12.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2917 15.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0176 13.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5121 14.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7143 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9540 7.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0444 12.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4476 12.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3342 10.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8240 12.7052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.6042 9.9100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.9108 6.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6412 12.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3562 14.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3936 9.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4096 8.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.6300 8.5754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.5868 7.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6710 5.4178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.3470 6.8095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.3903 7.7860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4853 11.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5767 13.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0516 10.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0862 8.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0230 8.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3909 12.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3107 11.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0335 11.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9840 12.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4208 12.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2272 12.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5240 10.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9799 13.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1323 9.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4744 11.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8508 11.8951 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.2540 11.6251 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.6593 15.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8240 16.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9530 18.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5121 18.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9153 18.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1626 17.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6304 15.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3185 14.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6681 11.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9384 10.6643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5354 10.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1373 9.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2245 8.0034 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 2 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 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 16 1 0 0 0 0 22 20 2 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 2 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 6 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 6 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 1 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 11 1 0 0 0 0 70 13 1 0 0 0 0 71 17 1 0 0 0 0 72 18 1 0 0 0 0 73 20 1 0 0 0 0 74 22 1 0 0 0 0 75 26 1 0 0 0 0 76 28 1 0 0 0 0 40 77 1 6 0 0 0 41 78 1 1 0 0 0 79 45 1 0 0 0 0 46 80 1 6 0 0 0 47 81 1 1 0 0 0 M END > BMDB0006973 > bmdb > [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=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/C48H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(53)64-40(37-61-43(52)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)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/h11,13,17-18,20,22,26,28,35-36,40-41,45-47,54-55H,3-10,12,14-16,19,21,23-25,27,29-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b13-11-,18-17-,22-20-,28-26-/t40-,41-,45?,46-,47-/m1/s1 > GMBXECXXNMMIAN-UAYOKLAASA-N > C48H81N3O15P2 > 1002.1154 > 1001.514291961 > 13 > 108.76974901023905 > 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-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid > 6.89 > 9.266501532404245 > -5.48 > 0 > 2 > -2 > 3.244460536273672 > 2.5446504923955766 > 1.7745969025330874 > 264.25999999999993 > 274.4934 > 42 > 0 > 3.34e-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-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxyphosphinic acid > 0 > BMDB0006973 > CDP-DG(16:0/20:4(5Z,8Z,11Z,14Z)) > 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-CDP; 1-palmitoyl-2-arachidonoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(16:0/20:4); CDP-DG(16:0/20:4n6); CDP-DG(16:0/20:4w6); CDP-DG(36:4); CDP-Diacylglycerol(16:0/20:4); CDP-Diacylglycerol(16:0/20:4n6); CDP-Diacylglycerol(16:0/20:4w6); CDP-Diacylglycerol(36:4) $$$$