Mrv0541 10101211182D 79 81 0 0 0 0 999 V2000 22.8631 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -15.2625 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 21.4341 -14.8500 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 21.4341 -14.0250 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 20.7197 -13.6125 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 20.7197 -12.7875 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 20.0052 -12.3750 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 20.0052 -11.5500 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 19.2907 -11.1375 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 19.2907 -10.3125 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 18.5762 -9.9000 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 22.3221 -5.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9865 -6.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -8.6625 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 20.5282 -9.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -9.0750 0.0000 C 0 0 2 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 21.2427 -8.9645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1426 -5.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -9.0750 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 21.9964 -9.3000 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 22.5484 -8.6869 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 22.1359 -7.9725 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 23.2919 -7.1326 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 23.6275 -6.3789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4715 -7.2188 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 19.2907 -8.6625 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 23.4781 -4.9578 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.1473 -9.9000 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 22.1679 -10.1070 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 23.3689 -8.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7769 -7.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6387 -8.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8137 -7.3145 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 18.1637 -6.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8137 -8.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3289 -8.1440 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 18.9887 -8.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8137 -8.1395 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 17.8618 -9.4875 0.0000 H 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 21.5650 -9.7239 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 21.5715 -10.0072 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 22.8440 -9.4571 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 22.9598 -7.9293 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 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 24 23 2 0 0 0 0 29 21 1 0 0 0 0 29 25 1 0 0 0 0 30 22 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 1 0 0 0 32 28 1 1 0 0 0 33 23 1 0 0 0 0 34 25 1 0 0 0 0 35 26 1 0 0 0 0 37 32 1 0 0 0 0 38 31 1 0 0 0 0 39 37 1 0 0 0 0 40 36 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 36 1 0 0 0 0 44 34 2 0 0 0 0 36 44 1 6 0 0 0 45 33 2 0 0 0 0 45 43 1 0 0 0 0 46 24 1 0 0 0 0 41 46 1 1 0 0 0 46 43 1 0 0 0 0 47 27 1 0 0 0 0 29 48 1 1 0 0 0 30 49 1 6 0 0 0 50 33 1 0 0 0 0 34 51 1 4 0 0 0 52 35 2 0 0 0 0 37 53 1 6 0 0 0 38 54 1 6 0 0 0 39 55 1 6 0 0 0 56 43 2 0 0 0 0 61 28 1 0 0 0 0 62 32 1 0 0 0 0 62 41 1 0 0 0 0 63 31 1 0 0 0 0 63 42 1 0 0 0 0 64 35 1 0 0 0 0 40 64 1 1 0 0 0 42 65 1 6 0 0 0 67 57 1 0 0 0 0 67 58 2 0 0 0 0 67 61 1 0 0 0 0 67 66 1 0 0 0 0 68 59 1 0 0 0 0 68 60 2 0 0 0 0 68 65 1 0 0 0 0 68 66 1 0 0 0 0 29 69 1 1 0 0 0 30 70 1 6 0 0 0 31 71 1 6 0 0 0 32 72 1 6 0 0 0 36 73 1 1 0 0 0 37 74 1 1 0 0 0 38 75 1 1 0 0 0 39 76 1 1 0 0 0 40 77 1 6 0 0 0 41 78 1 6 0 0 0 42 79 1 1 0 0 0 M CHG 2 50 -1 51 -1 M END > M2MDB003524 > M2MDB > [H][C@@](O)(CCCCCCCCCCC)CC(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)O[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)[C@]1([H])N=C([O-])C[C@]([H])(O)CCCCCCCCCCC > InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/p-2/t29-,30-,31-,32-,36-,37-,38-,39-,40-,41-,42-/m1/s1 > KOJCFMYSTWNMQW-RUAJDYCTSA-L > C43H75N3O20P2 > 1016.0112 > 1015.441914879 > 18 > 105.07246000175431 > 0 > 8 > -2 > 0 > (3R)-N-[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]-3-hydroxytetradecanecarboximidate > 3.32 > 5.063547259333331 > -3.21 > 1 > 3 > -2 > 3.15744599648484 > 1.7346337604740985 > -3.6573576101780363 > 359.5800000000001 > 262.1594000000001 > 36 > 0 > 6.46e-01 g/l > (3R)-N-[(2R,3R,4R,5S,6R)-2-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]-3-hydroxytetradecanecarboximidate > 0 > ECMDB23134 > UDP-2,3-bis(O-(3R)-3-Hydroxymyristoyl)-alpha-D-glucosamine $$$$