Mrv0541 08131209122D 79 80 0 0 0 0 999 V2000 -9.2785 3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4411 -7.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 2.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -6.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 2.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -5.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8496 1.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 -5.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8496 0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 -4.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1351 0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -4.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1351 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -3.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4206 -0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 -2.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4206 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7062 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2977 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9917 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2772 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8688 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5628 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1543 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8483 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4398 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7254 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4193 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0109 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2964 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0351 2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2146 2.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4385 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9616 2.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -1.6601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2471 2.7669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5200 2.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1609 3.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 3.7589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0586 3.0444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3640 3.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 2.6995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1845 3.5394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 2.9582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -2.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -0.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 4.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 4.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0285 4.3793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4385 1.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6135 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 0.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0885 1.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7241 -1.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4385 -0.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9616 1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8675 -2.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 0.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4385 0.4024 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 1.1169 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.4411 -4.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4411 -2.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1351 -2.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -1.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7062 -2.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2977 -0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4385 -1.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7436 3.4257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9857 3.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 4.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 3.7363 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 2 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 16 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 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 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 69 12 1 0 0 0 0 70 14 1 0 0 0 0 71 17 1 0 0 0 0 72 18 1 0 0 0 0 73 19 1 0 0 0 0 74 20 1 0 0 0 0 40 75 1 1 0 0 0 41 76 1 6 0 0 0 77 45 1 0 0 0 0 46 78 1 1 0 0 0 47 79 1 6 0 0 0 M END > BMDB0006998 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=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)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C48H83N3O15P2/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/h12,14,17-20,35-36,40-41,45-47,54-55H,3-11,13,15-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b14-12-,19-17-,20-18-/t40-,41-,45?,46-,47-/m1/s1 > UJQQGEDCLSFEMD-ZGNJXVCBSA-N > C48H83N3O15P2 > 1004.1312 > 1003.529942025 > 13 > 108.63575334997434 > 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-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 6.92 > 9.628423187822875 > -5.48 > 0 > 2 > -2 > 3.2444605362736954 > 2.544650492395584 > 1.7745969025331072 > 264.25999999999993 > 273.3768 > 43 > 0 > 3.33e-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-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0006998 > CDP-DG(18:1(9Z)/18:2(9Z,12Z)) > 1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-CDP; 1-oleoyl-2-linoleoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(18:1/18:2); CDP-DG(18:1n9/18:2n6); CDP-DG(18:1w9/18:2w6); CDP-DG(36:3); CDP-Diacylglycerol(18:1/18:2); CDP-Diacylglycerol(18:1n9/18:2n6); CDP-Diacylglycerol(18:1w9/18:2w6); CDP-Diacylglycerol(36:3) $$$$