Mrv1533005261511422D 65 67 0 0 0 0 999 V2000 -10.8674 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1529 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4385 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7240 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0095 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2951 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5806 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8661 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1516 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4372 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5620 0.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7415 0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2938 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5653 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0082 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5640 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2798 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0469 -0.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3660 -1.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1504 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1730 -1.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1504 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5855 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2785 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8909 -1.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7114 -1.1850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4060 -0.6038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0082 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8674 -0.3450 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5793 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7529 -1.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5086 -2.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5553 -2.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7239 -0.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5489 0.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1199 -0.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 0.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 -0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4219 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7074 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.0082 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5879 -0.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5795 -2.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9969 -1.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8811 0.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 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 12 11 1 0 0 0 0 14 13 2 0 0 0 0 18 2 1 4 0 0 0 19 12 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 1 0 0 0 21 17 1 1 0 0 0 22 13 1 0 0 0 0 23 15 1 0 0 0 0 25 21 1 0 0 0 0 26 20 1 0 0 0 0 27 25 1 0 0 0 0 28 24 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 24 1 0 0 0 0 32 18 2 0 0 0 0 24 32 1 6 0 0 0 33 22 2 0 0 0 0 33 31 1 0 0 0 0 34 14 1 0 0 0 0 29 34 1 1 0 0 0 34 31 1 0 0 0 0 35 16 1 0 0 0 0 36 18 1 0 0 0 0 19 37 1 6 0 0 0 38 22 1 0 0 0 0 39 23 2 0 0 0 0 25 40 1 6 0 0 0 26 41 1 6 0 0 0 27 42 1 6 0 0 0 43 31 2 0 0 0 0 48 17 1 0 0 0 0 49 21 1 0 0 0 0 49 29 1 0 0 0 0 50 20 1 0 0 0 0 50 30 1 0 0 0 0 51 23 1 0 0 0 0 28 51 1 6 0 0 0 30 52 1 6 0 0 0 54 44 1 0 0 0 0 54 45 2 0 0 0 0 54 48 1 0 0 0 0 54 53 1 0 0 0 0 55 46 1 0 0 0 0 55 47 2 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 19 56 1 6 0 0 0 20 57 1 6 0 0 0 21 58 1 6 0 0 0 24 59 1 1 0 0 0 25 60 1 1 0 0 0 26 61 1 1 0 0 0 27 62 1 1 0 0 0 28 63 1 6 0 0 0 29 64 1 6 0 0 0 30 65 1 1 0 0 0 M CHG 2 36 -1 38 -1 M END > M2MDB006332 > 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(C)[O-] > InChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/p-2/t19-,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1 > TZSJGZGYQDNRRX-MPLCHSTDSA-L > C31H51N3O19P2 > 831.7 > 831.26029759 > 17 > 106 > 79.25978881315473 > 0 > 7 > -2 > 0 > 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]ethanecarboximidate > 1.15 > 0.703567164333333 > -2.18 > 1 > 3 > -2 > 3.175931900478704 > 1.7345710055467292 > -3.6573575088071033 > 339.3500000000001 > 205.40600000000003 > 24 > 0 > 5.74e+00 g/l > 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]ethanecarboximidate > 0 > ECMDB24215 > UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-α-D-glucosamine $$$$