Mrv1572009081521532D 64 65 0 0 1 0 999 V2000 4.9929 14.7955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7116 14.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4218 14.8102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1405 14.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8507 14.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 13.5800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4387 13.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 13.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8676 13.1749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6178 13.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1760 12.9107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9956 13.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4873 12.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3069 12.4376 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.4015 11.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2122 13.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1264 12.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6182 11.8698 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.9557 11.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2806 12.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1099 11.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9295 11.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4212 10.6395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0934 9.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2738 9.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9460 9.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4377 8.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1264 8.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7986 8.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2903 7.5166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9791 8.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6512 7.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 7.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5039 6.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6843 6.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3565 5.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5369 5.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2091 4.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3896 4.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2407 10.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7325 10.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4047 9.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5520 10.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0438 9.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8633 9.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3550 8.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1746 9.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6663 8.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4859 8.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9776 7.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7972 7.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2889 7.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1085 7.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6002 6.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4198 6.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9115 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7310 6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2228 5.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0423 5.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8949 4.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7709 12.1921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1141 11.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 12.3553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3548 11.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 9 6 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 23 40 1 6 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 11 61 1 0 0 0 0 61 62 1 1 0 0 0 61 63 1 0 0 0 0 9 63 1 0 0 0 0 63 64 1 1 0 0 0 M END > M2MDB006770 > M2MDB > CCCCCCCCCC(O)CC(=O)OC[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCCCCCCCC(C)C > InChI=1S/C43H79N3O16P2/c1-4-5-6-7-15-19-22-25-34(47)29-39(49)57-30-35(60-38(48)26-23-20-17-14-12-10-8-9-11-13-16-18-21-24-33(2)3)31-58-63(53,54)62-64(55,56)59-32-36-40(50)41(51)42(61-36)46-28-27-37(44)45-43(46)52/h27-28,33-36,40-42,47,50-51H,4-26,29-32H2,1-3H3,(H,53,54)(H,55,56)(H2,44,45,52)/t34?,35-,36-,40-,41-,42-/m1/s1 > SSHMHANXDRKNQG-HQQMOLGISA-N > C43H79N3O16P2 > 956.058 > 955.493557472 > 13 > 143 > 102.88446010786636 > 0 > 6 > 0 > 0 > {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(3-hydroxydodecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propoxy]phosphoryl}oxy)phosphinic acid > 4.87 > 7.723820477999997 > -4.78 > 0 > 2 > -2 > 1.8631673657139758 > -0.03198994044173631 > 3.2716255536035943 > 283.5 > 237.07260000000008 > 40 > 0 > 1.58e-02 g/l > [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([hydroxy((2R)-3-[(3-hydroxydodecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propoxy)phosphoryl]oxy)phosphinic acid > 0 > ECMDB24653 > CDP-DG(12:0(3-OH)/19:iso) $$$$