Mrv0541 08131209112D 73 74 0 0 0 0 999 V2000 14.8986 2.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8222 0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1573 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0809 1.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4730 2.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3966 0.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7318 1.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6554 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0475 2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9711 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3062 1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2298 1.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6220 2.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5456 0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8807 2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8043 0.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8237 1.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5079 0.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4509 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7097 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3788 0.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0254 0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6945 0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2841 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 0.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5999 0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 0.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8586 -0.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1744 0.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1565 0.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 4.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 4.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3803 1.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4098 4.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 0.4107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7255 4.8897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0313 5.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4331 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8978 0.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 5.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 5.9411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4421 5.2568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1800 5.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 5.1395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 5.8975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 5.2275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3761 -0.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9548 1.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 6.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 6.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 6.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 3.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 2.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7213 2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 3.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 1.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 3.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 0.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 4.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 2.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7531 2.5176 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 3.1449 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6790 3.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1965 2.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0646 0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 5.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 5.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4653 6.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 5.9781 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 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 67 13 1 0 0 0 0 68 15 1 0 0 0 0 38 69 1 6 0 0 0 39 70 1 6 0 0 0 71 43 1 0 0 0 0 44 72 1 1 0 0 0 45 73 1 6 0 0 0 M END > BMDB0006986 > 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)CCCCCCCCCCCCCCC > InChI=1S/C46H83N3O15P2/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/h13,15,33-34,38-39,43-45,52-53H,3-12,14,16-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b15-13-/t38-,39-,43?,44-,45-/m1/s1 > JYZDWTGASQILGK-OJLYBKJLSA-N > C46H83N3O15P2 > 980.1098 > 979.529942025 > 13 > 107.82219501016655 > 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-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid > 6.61 > 9.46312917012438 > -5.31 > 0 > 2 > -2 > 3.2444605362736954 > 2.544650492395584 > 1.7745969025331072 > 264.25999999999993 > 261.9416000000001 > 43 > 0 > 4.84e-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-[(11Z)-octadec-11-enoyloxy]propoxyphosphinic acid > 0 > BMDB0006986 > CDP-DG(18:1(11Z)/16:0) > 1-(11Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-CDP; 1-vaccenoyl-2-palmitoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(18:1/16:0); CDP-DG(18:1n7/16:0); CDP-DG(18:1w7/16:0); CDP-DG(34:1); CDP-Diacylglycerol(18:1/16:0); CDP-Diacylglycerol(18:1n7/16:0); CDP-Diacylglycerol(18:1w7/16:0); CDP-Diacylglycerol(34:1) $$$$