Mrv1572009081521522D 62 63 0 0 1 0 999 V2000 2.1363 14.3361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 13.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 14.4200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 14.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9893 14.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 13.2266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 12.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 13.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0862 12.8568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8189 13.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 12.6564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2200 12.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7432 12.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5572 12.2871 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.6915 11.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4230 13.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 12.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8945 11.7836 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.2567 11.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5323 12.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4178 11.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2318 11.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7551 10.6423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4644 9.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6504 9.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3597 8.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8830 8.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5457 8.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2550 8.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7782 7.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4410 7.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1502 7.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3362 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0455 6.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2315 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9408 5.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1268 5.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5691 10.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0924 10.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8017 9.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9064 10.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4297 9.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2437 9.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7670 9.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5809 9.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1042 8.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9182 8.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4415 8.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2555 8.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7788 7.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5928 7.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1161 7.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9301 7.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4534 6.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2674 6.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7907 6.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6047 6.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4999 5.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0361 11.9189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4154 11.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2205 12.0428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6409 11.4557 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 23 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 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 56 58 1 0 0 0 0 11 59 1 0 0 0 0 59 60 1 1 0 0 0 59 61 1 0 0 0 0 9 61 1 0 0 0 0 61 62 1 1 0 0 0 M END > M2MDB006755 > M2MDB > CCCCCCCC(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/C41H75N3O16P2/c1-4-5-6-16-20-23-32(45)27-37(47)55-28-33(58-36(46)24-21-18-15-13-11-9-7-8-10-12-14-17-19-22-31(2)3)29-56-61(51,52)60-62(53,54)57-30-34-38(48)39(49)40(59-34)44-26-25-35(42)43-41(44)50/h25-26,31-34,38-40,45,48-49H,4-24,27-30H2,1-3H3,(H,51,52)(H,53,54)(H2,42,43,50)/t32?,33-,34-,38-,39-,40-/m1/s1 > HBWHAFZNLKQYMY-HSKYYDRWSA-N > C41H75N3O16P2 > 928.004 > 927.462257343 > 13 > 137 > 98.53000810744504 > 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-hydroxydecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propoxy]phosphoryl}oxy)phosphinic acid > 4.34 > 6.8346831480000025 > -4.53 > 0 > 2 > -2 > 1.8631673657139758 > -0.03198994044173631 > 3.2716255536035943 > 283.5 > 227.87060000000005 > 38 > 0 > 2.73e-02 g/l > [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([hydroxy((2R)-3-[(3-hydroxydecanoyl)oxy]-2-[(17-methyloctadecanoyl)oxy]propoxy)phosphoryl]oxy)phosphinic acid > 0 > ECMDB24638 > CDP-DG(10:0(3-OH)/19:iso) $$$$