Marvin 10151214112D 40 42 0 0 0 0 999 V2000 5.6520 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 3.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 3.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 4.4938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 2.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 3.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 2.0187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 0.6856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9062 1.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 -0.0990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7313 -0.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4937 -0.0990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0812 -0.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2388 0.6856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6555 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 1.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 1.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 2.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 1.2690 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6445 0.4440 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0055 2.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 1.2690 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0055 0.4440 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4695 1.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 0.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6129 0.0314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3274 -0.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6129 0.8565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3274 2.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3274 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0419 0.8565 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8985 -0.3811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8985 -1.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 0.0314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4695 -0.3811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 -1.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4695 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8985 1.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 3 2 1 0 0 0 0 7 5 1 0 0 0 0 5 8 1 0 0 0 0 8 1 1 0 0 0 0 1 2 2 0 0 0 0 3 4 2 0 0 0 0 5 6 2 0 0 0 0 10 15 1 0 0 0 0 10 9 1 0 0 0 0 15 13 1 0 0 0 0 13 11 1 0 0 0 0 11 9 1 0 0 0 0 9 8 1 1 0 0 0 11 12 1 6 0 0 0 13 14 1 6 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 17 23 1 0 0 0 0 23 18 1 0 0 0 0 18 20 1 0 0 0 0 20 25 1 0 0 0 0 20 19 2 0 0 0 0 20 21 1 0 0 0 0 23 22 2 0 0 0 0 23 24 1 0 0 0 0 26 25 1 0 0 0 0 35 26 1 0 0 0 0 40 26 1 0 0 0 0 40 29 1 0 0 0 0 29 27 1 0 0 0 0 27 33 1 0 0 0 0 33 35 1 0 0 0 0 27 28 1 6 0 0 0 29 31 1 1 0 0 0 31 30 2 0 0 0 0 31 32 1 0 0 0 0 33 34 1 1 0 0 0 35 36 1 1 0 0 0 36 38 1 0 0 0 0 38 37 2 0 0 0 0 38 39 1 0 0 0 0 M CHG 3 21 -1 24 -1 32 -1 M END > CHEBI:58578 > UDP-N-acetyl-D-mannosaminouronate(3-) > A nucleotide-sugar oxoanion obtained by deprotonation of the carboxy and diphosphate OH groups of UDP-N-acetyl-D-mannosaminouronic acid. > 3 > UDP-N-acetyl-D-mannosaminouronate > C17H22N3O18P2 > 618.31340 > 618.03901 > -3 > CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](OC1OP([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-WVDWHLDBSA-K > 5218686 $$$$