Mrv0541 07301213422D 62 64 0 0 0 0 999 V2000 5.0013 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4308 -7.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6103 -7.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4328 -6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1486 -7.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9157 -7.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -7.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2348 -8.6580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7184 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0418 -8.8295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7184 -7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.4543 -8.1150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1473 -7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.7597 -8.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5802 -8.6100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2748 -8.0288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7362 -7.7701 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.2894 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6217 -9.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3774 -9.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4242 -9.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5927 -8.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4177 -6.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9887 -8.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1637 -6.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9023 -7.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -7.4250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -7.4250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6204 -6.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6521 -8.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9025 -8.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4100 -8.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4362 -5.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5226 -9.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4362 -8.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9036 -8.8069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 17 11 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 1 0 0 0 19 16 1 1 0 0 0 20 12 1 0 0 0 0 21 14 1 0 0 0 0 23 19 1 0 0 0 0 24 18 1 0 0 0 0 25 23 1 0 0 0 0 26 22 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 22 1 0 0 0 0 22 30 1 6 0 0 0 31 20 2 0 0 0 0 31 29 1 0 0 0 0 32 13 1 0 0 0 0 27 32 1 1 0 0 0 32 29 1 0 0 0 0 33 15 1 0 0 0 0 17 34 1 6 0 0 0 35 20 1 0 0 0 0 36 21 2 0 0 0 0 23 37 1 6 0 0 0 24 38 1 6 0 0 0 25 39 1 6 0 0 0 40 29 2 0 0 0 0 45 16 1 0 0 0 0 46 19 1 0 0 0 0 46 27 1 0 0 0 0 47 18 1 0 0 0 0 47 28 1 0 0 0 0 48 21 1 0 0 0 0 26 48 1 1 0 0 0 28 49 1 6 0 0 0 51 41 1 0 0 0 0 51 42 2 0 0 0 0 51 45 1 0 0 0 0 51 50 1 0 0 0 0 52 43 1 0 0 0 0 52 44 2 0 0 0 0 52 49 1 0 0 0 0 52 50 1 0 0 0 0 17 53 1 6 0 0 0 18 54 1 6 0 0 0 19 55 1 6 0 0 0 22 56 1 1 0 0 0 23 57 1 1 0 0 0 24 58 1 1 0 0 0 25 59 1 1 0 0 0 26 60 1 6 0 0 0 27 61 1 6 0 0 0 28 62 1 1 0 0 0 M CHG 1 35 -1 M END > M2MDB001696 > M2MDB > [H][C@@](O)(CCCCCCCCCCC)CC(=O)O[C@]1([H])[C@@]([H])(N)[C@@]([H])(OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=CC([O-])=NC3=O)[C@]([H])(O)[C@]2([H])O)O[C@]([H])(CO)[C@@]1([H])O > InChI=1S/C29H51N3O18P2/c1-2-3-4-5-6-7-8-9-10-11-17(34)14-21(36)48-26-22(30)28(47-18(15-33)24(26)38)49-52(43,44)50-51(41,42)45-16-19-23(37)25(39)27(46-19)32-13-12-20(35)31-29(32)40/h12-13,17-19,22-28,33-34,37-39H,2-11,14-16,30H2,1H3,(H,41,42)(H,43,44)(H,31,35,40)/p-1/t17-,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1 > ZFPNNOXCEDQJQS-SSVOXRMNSA-M > C29H50N3O18P2 > 790.6641 > 790.256459835 > 16 > 75.93970468831516 > 0 > 8 > -1 > 0 > 1-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-olate > 0.50 > -1.1386886310025335 > -1.97 > 1 > 3 > -1 > 3.148549807075473 > 1.7198793192257793 > 8.466845397719524 > 329.95000000000005 > 184.89020000000005 > 23 > 0 > 8.66e+00 g/l > 1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]oxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-olate > 0 > ECMDB21292 > UDP-3-O-(3-Hydroxytetradecanoyl)-D-glucosamine $$$$