Marvin 01171309262D 52 54 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 1.5244 3.1668 0.0000 N 0 3 0 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 -1.3335 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 0.8099 1.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8099 1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 2.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 1.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 1.9293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9533 2.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6678 1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 2.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0967 1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 2.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5256 1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2401 2.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9546 1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6691 2.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0980 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 32 1 0 0 0 0 32 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 36 1 1 0 0 0 29 34 1 1 0 0 0 30 31 1 6 0 0 0 32 33 1 6 0 0 0 34 35 1 0 0 0 0 36 38 1 0 0 0 0 38 37 2 0 0 0 0 38 39 1 0 0 0 0 39 41 1 0 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 3 24 -1 27 -1 31 1 M END > CHEBI:71573 > UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(1-) > A UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-D-glucosamine(1−) in which the anomeric centre of the pyranose fragment has α-configuration. > 3 > UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine > C29H50N3O18P2 > 790.66410 > 790.25701 > -1 > CCCCCCCCCCC[C@@H](O)CC(=O)O[C@@H]1[C@@H]([NH3+])[C@H](O[C@H](CO)[C@H]1O)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/C29H51N3O18P2/c1-2-3-4-5-6-7-8-9-10-11-17(34)14-21(36)48-26-22(30)28(47-18(15-33)24(26)38)49-52(43,44)50-51(41,42)45-16-19-23(37)25(39)27(46-19)32-13-12-20(35)31-29(32)40/h12-13,17-19,22-28,33-34,37-39H,2-11,14-16,30H2,1H3,(H,41,42)(H,43,44)(H,31,35,40)/p-1/t17-,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1 > ZFPNNOXCEDQJQS-SSVOXRMNSA-M > 21086785 > UDP-OHMYR-GLUCOSAMINE $$$$