Marvin 08201216092D 39 41 0 0 0 0 999 V2000 4.8945 2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8945 3.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 3.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 4.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4655 2.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 1.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4655 3.1496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 1.9121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8635 0.7893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1960 1.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6085 0.0048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0210 -0.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7835 0.0048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3710 -0.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5286 0.7893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8142 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9147 0.3768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6293 0.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9147 -0.4482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6293 -0.8607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6293 -1.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 -0.4482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0581 -0.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 0.3768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0581 0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7727 0.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -0.8607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9147 -2.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -1.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -2.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 1.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 0.7893 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 -0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2747 1.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2747 0.7893 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2747 -0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 0 0 0 0 1 2 2 0 0 0 0 3 2 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 7 5 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 9 8 1 1 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 10 15 1 0 0 0 0 13 11 1 0 0 0 0 11 12 1 6 0 0 0 15 13 1 0 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 38 1 0 0 0 0 38 18 1 0 0 0 0 18 35 1 0 0 0 0 35 19 1 0 0 0 0 20 19 1 6 0 0 0 22 20 1 0 0 0 0 21 20 1 0 0 0 0 21 27 1 0 0 0 0 23 22 1 0 0 0 0 22 30 1 6 0 0 0 25 23 1 0 0 0 0 23 24 1 1 0 0 0 27 25 1 0 0 0 0 25 26 1 1 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 30 32 1 0 0 0 0 32 31 2 0 0 0 0 32 33 1 0 0 0 0 35 34 2 0 0 0 0 35 36 1 0 0 0 0 38 37 2 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:67168 > UDP-N-acetyl-alpha-D-galactosamine > A UDP-N-acetyl-D-galactosamine in which the anomeric centre of the galactosamine moiety has ?-configuration. > 3 > CHEBI:46285 > URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE; UDP-GalNac; (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) > uridine 5'-[3-(2-acetamido-2-deoxy-alpha-D-galactopyranosyl) dihydrogen diphosphate] > C17H27N3O17P2 > 607.35370 > 607.08157 > 0 > CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)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 > InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1 > LFTYTUAZOPRMMI-NESSUJCYSA-N > 7277-98-7 > 78983 > 7277-98-7 > C00203 > G10611 > UDP-N-ACETYL-GALACTOSAMINE > UD2 > 10547037; 12634319; 13851695 $$$$