Mrv0541 08131209102D 75 76 0 0 0 0 999 V2000 16.7689 17.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4064 13.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5939 17.4534 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 18.0064 16.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6439 14.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8314 16.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0564 13.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2439 16.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8814 13.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0689 16.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2939 13.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4814 15.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1189 13.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0689 14.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5314 12.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4814 13.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3064 13.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3564 12.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7189 14.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7689 11.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5439 14.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5939 11.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9564 13.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0064 11.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5439 13.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8314 11.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9564 12.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2439 10.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5439 11.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0689 10.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9564 11.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0991 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5840 1.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7189 8.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9564 8.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1458 5.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5439 8.8798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.1458 4.6739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2786 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4814 9.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5439 10.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8133 4.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5583 3.4043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7333 3.4043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.4279 2.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7937 0.7346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9430 2.1557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.2484 2.7369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0689 8.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7189 10.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5979 4.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0433 2.7369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0924 3.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9083 7.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4794 7.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2564 6.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4314 7.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3064 9.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7814 8.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4314 5.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9564 9.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4784 4.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6064 6.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1939 7.4508 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.4314 6.7364 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.4814 16.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3064 15.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0689 13.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7189 13.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1314 8.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7085 5.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2133 4.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3732 3.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.1079 2.6692 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 16 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 34 33 2 0 0 0 0 38 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 6 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 6 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 1 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 11 1 0 0 0 0 68 13 1 0 0 0 0 69 17 1 0 0 0 0 70 18 1 0 0 0 0 38 71 1 6 0 0 0 39 72 1 1 0 0 0 73 43 1 0 0 0 0 44 74 1 6 0 0 0 45 75 1 1 0 0 0 M END > BMDB0006972 > bmdb > [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=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/C46H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)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/h11,13,17-18,33-34,38-39,43-45,52-53H,3-10,12,14-16,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b13-11-,18-17-/t38-,39-,43?,44-,45-/m1/s1 > SDCBTFIMVHXFSZ-MACMUFFBSA-N > C46H81N3O15P2 > 978.094 > 977.514291961 > 13 > 106.04688056143591 > 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-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 6.58 > 9.101207514433428 > -5.31 > 0 > 2 > -2 > 3.2444605362736954 > 2.544650492395584 > 1.7745969025331072 > 264.25999999999993 > 263.0582000000001 > 42 > 0 > 4.82e-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-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0006972 > CDP-DG(16:0/18:2(9Z,12Z)) > 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-CDP; 1-palmitoyl-2-linoleoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(16:0/18:2); CDP-DG(16:0/18:2n6); CDP-DG(16:0/18:2w6); CDP-DG(34:2); CDP-Diacylglycerol(16:0/18:2); CDP-Diacylglycerol(16:0/18:2n6); CDP-Diacylglycerol(16:0/18:2w6); CDP-Diacylglycerol(34:2) $$$$