Marvin 10231209322D 40 42 0 0 0 0 999 V2000 14.3609 -8.5828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0042 -7.2430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6872 -8.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1187 -9.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2966 -6.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7309 -6.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0288 -8.5637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2937 -9.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6031 -10.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2966 -5.9865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5814 -7.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7309 -5.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2454 -8.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8131 -10.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0081 -5.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0713 -7.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 -4.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2463 -7.5079 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.4214 -7.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2463 -6.6868 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.2425 -8.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6001 -7.5079 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.7713 -7.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6001 -6.6868 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.6001 -8.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0598 -7.9167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0598 -8.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3409 -7.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3409 -9.1541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7713 -9.1541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6255 -7.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6255 -8.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3409 -9.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7713 -9.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9217 -9.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4865 -10.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0598 -10.3879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9217 -6.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9217 -7.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 -7.9204 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 13 1 1 0 0 0 8 14 1 6 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 26 23 1 6 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 1 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 1 0 0 0 30 34 1 0 0 0 0 31 39 1 1 0 0 0 32 35 1 6 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 7 8 1 0 0 0 0 12 15 1 0 0 0 0 31 32 1 0 0 0 0 39 38 2 0 0 0 0 39 40 1 0 0 0 0 M CHG 3 20 -1 24 -1 40 -1 M END > CHEBI:70731 > UDP-N-acetyl-alpha-D-mannosaminouronate(3-) > A UDP-N-acetyl-D-mannosaminouronate(3−) in which the anomeric centre of the pyranose fragment has α-configuration. > 3 > UDP-N-acetyl-alpha-D-mannosaminouronate > C17H22N3O18P2 > 618.31340 > 618.03901 > -3 > CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C([O-])=O > InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/p-3/t6-,8+,9-,10-,11+,12-,13+,14-,16-/m1/s1 > DZOGQXKQLXAPND-XHUKORKBSA-K > UDP-NAC-MANNOS $$$$