Mrv1652304282209252D 58 60 0 0 1 0 999 V2000 -2.1434 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.1250 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 -3.2704 3.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4454 4.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 5.3625 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 -2.7474 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9543 7.9099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7389 7.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 8.6945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1842 9.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8743 8.6945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3894 9.3620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 10.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 10.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 10.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9346 11.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 9.9432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 9.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 8.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 7.9099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 2 0 0 0 0 2 4 1 1 0 0 0 2 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 16 22 1 0 0 0 0 22 23 2 0 0 0 0 15 24 1 0 0 0 0 10 24 1 0 0 0 0 6 25 1 6 0 0 0 26 1 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 26 31 1 0 0 0 0 30 32 1 1 0 0 0 32 33 1 0 0 0 0 29 34 1 6 0 0 0 28 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 6 0 0 0 41 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 46 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 27 55 1 6 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 M END > NP0062873 > NP-MRD > C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[P@](O)(=O)O[P@](O)(=O)OC[C@@H]2O[C@@H]([C@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O > InChI=1S/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3)35)27(54-14(8-34)20(22)40)55-58(49,50)56-57(47,48)51-9-15-19(39)21(41)25(53-15)33-7-6-16(36)32-28(33)46/h6-7,10-11,13-15,18-22,25,27,34,39-41H,4-5,8-9H2,1-3H3,(H,29,43)(H,30,35)(H,31,42)(H,37,38)(H,44,45)(H,47,48)(H,49,50)(H,32,36,46)/t10-,11+,13+,14+,15-,18+,19-,20+,21+,22+,25-,27+/m0/s1 > OJZCATPXPWFLHF-CUNOVYLMSA-N > C28H43N5O23P2 > 879.612 > 879.182406661 > 20 > 101 > 76.67940329517721 > 0 > 12 > 0 > 0 > (2R)-2-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-2-({[({[(2S,3R,4R,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]pentanedioic acid > -1.24 > -6.020957917666666 > -1.98 > 1 > 3 > -4 > 2.9709166527679347 > 1.7271156629644828 > 422.20999999999987 > 178.27200000000008 > 20 > 0 > 9.13e+00 g/l > (2R)-2-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-2-[({[(2S,3R,4R,5S)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]pentanedioic acid > 0 > NP0062873 > UDP-N-acetylmuramoyl-L-alanyl-D-glutamate $$$$