Marvin 09241213102D 44 46 0 0 0 0 999 V2000 8.7195 5.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7195 6.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 7.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 8.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 5.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 5.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 6.8021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 5.5646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6987 4.4043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0313 4.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 4.4043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6187 3.6198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2062 2.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4438 3.6198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8563 2.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6494 4.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 4.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 4.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 4.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 4.4043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0954 4.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 5.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 4.8168 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 3.9918 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9994 5.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 4.8168 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 3.9918 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0954 3.1668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6191 4.4043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8099 3.5793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6191 3.5793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3335 3.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 3.1668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2389 1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 2.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 1.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 4.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 4.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 2.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 0.6918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6191 1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 0.6918 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6191 1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 2.3418 0.0000 C 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 11 1 0 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 14 9 1 0 0 0 0 9 8 1 1 0 0 0 11 16 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 6 0 0 0 16 17 1 0 0 0 0 17 26 1 0 0 0 0 26 18 1 0 0 0 0 18 23 1 0 0 0 0 23 19 1 0 0 0 0 20 19 1 6 0 0 0 30 20 1 0 0 0 0 21 20 1 0 0 0 0 21 29 1 0 0 0 0 29 31 1 0 0 0 0 31 28 1 0 0 0 0 28 30 1 0 0 0 0 23 22 2 0 0 0 0 23 24 1 0 0 0 0 26 25 2 0 0 0 0 26 27 1 0 0 0 0 28 39 1 1 0 0 0 29 37 1 1 0 0 0 30 33 1 6 0 0 0 31 32 1 6 0 0 0 33 35 1 0 0 0 0 35 34 1 0 0 0 0 35 36 2 0 0 0 0 37 38 1 0 0 0 0 39 43 1 0 0 0 0 43 41 1 0 0 0 0 41 40 2 0 0 0 0 41 42 1 0 0 0 0 43 44 2 0 0 0 0 M CHG 3 24 -1 27 -1 42 -1 M END > CHEBI:68483 > UDP-N-acetyl-3-O-(1-carboxylatovinyl)-alpha-D-glucosamine(3-) > A UDP-N-acetyl-3-O-(1-carboxylatovinyl)-D-glucosamine(3−) in which the anomeric centre of the glucosamine fragment has α-configuration. > 3 > UDP-N-acetylglucosamine-3-O-pyruvate ether; UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine; UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine; UDP-GlcNAc-pyruvate enol ether; UDP-GlcNAc-enolpyruvate > uridine 5'-{3-[2-acetamido-3-O-(1-carboxylatoethenyl)-2-deoxy-alpha-D-glucopyranosyl] diphosphate} > C20H26N3O19P2 > 674.37670 > 674.06522 > -3 > CC(=O)N[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1OC(=C)C([O-])=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O > InChI=1S/C20H29N3O19P2/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/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/p-3/t9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 > BEGZZYPUNCJHKP-DBYWSUQTSA-K > UDP-ACETYL-CARBOXYVINYL-GLUCOSAMINE $$$$