Mrv0541 08131209102D 69 70 0 0 0 0 999 V2000 8.9868 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9933 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7012 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2788 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4157 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5643 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1302 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8498 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8447 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1354 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5591 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4209 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2736 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7064 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9881 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9920 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7025 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2775 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4170 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5630 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1315 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8485 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8460 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1341 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5604 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4196 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2749 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7051 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9894 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9907 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0354 -16.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2149 -16.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1328 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8473 -13.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0387 -16.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8473 -12.2378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.7532 -16.6647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.5203 -16.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7038 -11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8394 -17.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6464 -17.6568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.0589 -16.9423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.3643 -17.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3408 -16.5973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1848 -17.4372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8794 -16.8560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7038 -11.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 -13.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2263 -18.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9819 -18.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0287 -18.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5617 -15.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3867 -14.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6098 -14.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9117 -15.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4183 -12.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5617 -13.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0387 -15.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5617 -11.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5068 -16.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7367 -14.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5617 -14.3003 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.3242 -15.0147 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.1328 -12.6503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2567 -17.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0145 -17.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1272 -18.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5082 -17.6342 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 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 32 31 2 0 0 0 0 36 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 1 0 0 0 38 31 1 0 0 0 0 39 29 1 0 0 0 0 40 30 1 0 0 0 0 41 37 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 45 38 2 0 0 0 0 46 38 1 0 0 0 0 46 44 2 0 0 0 0 47 32 1 0 0 0 0 43 47 1 1 0 0 0 47 44 1 0 0 0 0 48 39 2 0 0 0 0 49 40 2 0 0 0 0 50 41 1 0 0 0 0 42 51 1 6 0 0 0 52 44 1 0 0 0 0 57 33 1 0 0 0 0 57 39 1 0 0 0 0 58 34 1 0 0 0 0 59 35 1 0 0 0 0 36 60 1 6 0 0 0 60 40 1 0 0 0 0 61 37 1 0 0 0 0 61 43 1 0 0 0 0 63 53 1 0 0 0 0 63 54 2 0 0 0 0 63 58 1 0 0 0 0 63 62 1 0 0 0 0 64 55 1 0 0 0 0 64 56 2 0 0 0 0 64 59 1 0 0 0 0 64 62 1 0 0 0 0 36 65 1 6 0 0 0 37 66 1 6 0 0 0 67 41 1 0 0 0 0 42 68 1 1 0 0 0 43 69 1 6 0 0 0 M END > BMDB0006968 > bmdb > [H][C@@](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)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41?,42-,43-/m1/s1 > ITYHVANGBZMQML-FNFCEGMASA-N > C44H81N3O15P2 > 954.0726 > 953.514291961 > 13 > 104.6967396903674 > 0 > 6 > 0 > 0 > [(2R)-2,3-bis(hexadecanoyloxy)propoxy][({[(2R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid > 6.09 > 8.93591349674718 > -5.14 > 0 > 2 > -2 > 3.2444605362736954 > 2.544650492395584 > 1.7745969025331072 > 264.25999999999993 > 251.6230000000001 > 42 > 0 > 6.87e-03 g/l > (2R)-2,3-bis(hexadecanoyloxy)propoxy({[(2R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid > 0 > BMDB0006968 > CDP-DG(16:0/16:0) > 1,2-dihexadecanoyl-rac-glycero-3-CDP; 1,2-dipalmitoyl-rac-glycero-3-cytidine-5'-diphosphate; CDP-DG(16:0/16:0); CDP-DG(32:0); CDP-Diacylglycerol(16:0/16:0); CDP-Diacylglycerol(32:0) $$$$