Marvin 10261210212D 44 46 0 0 0 0 999 V2000 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 2.1349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9543 2.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7389 1.8800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7389 3.2149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2239 2.5474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9939 1.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9939 3.9995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0489 2.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4419 4.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8009 4.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6968 5.3972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 4.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 4.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 5.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 6.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.6500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2869 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -3.3000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 14 1 6 0 0 0 1 2 1 0 0 0 0 2 15 1 6 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 4 7 1 1 0 0 0 3 5 1 0 0 0 0 5 11 1 1 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 6 0 0 0 9 7 1 0 0 0 0 9 19 1 0 0 0 0 9 10 1 1 0 0 0 11 12 1 0 0 0 0 13 39 2 0 0 0 0 39 14 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 17 1 0 0 0 0 19 44 1 0 0 0 0 19 20 2 0 0 0 0 21 43 1 1 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 6 0 0 0 24 27 1 1 0 0 0 24 25 1 0 0 0 0 25 28 1 6 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 2 0 0 0 0 30 33 2 0 0 0 0 31 34 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 39 36 1 0 0 0 0 36 41 1 0 0 0 0 41 37 2 0 0 0 0 41 38 1 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 3 40 -1 42 -1 44 -1 M END > CHEBI:70757 > UDP-N-acetyl-alpha-D-muramate(3-) > A UDP-N-acetyl-D-muramate(3−) in which the anomeric centre of the pyranose fragment has α-configuration. > 3 > UDP-N-acetyl-alpha-D-muramate > uridine 5'-(3-{2-acetylamino-3-O-[(R)-1-carboxylatoethyl]-2-deoxy-alpha-D-glucopyranosyl} diphosphate) > C20H28N3O19P2 > 676.39250 > 676.08087 > -3 > C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C([O-])=O > InChI=1S/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/p-3/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 > NQBRVZNDBBMBLJ-MQTLHLSBSA-K > 10752674 > UDP-N-ACETYLMURAMATE $$$$