Marvin 09251211432D 38 40 0 0 0 0 999 V2000 4.3218 -0.1974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6543 0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0669 -0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 -0.9819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8293 -1.6964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9869 -0.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2725 0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4475 0.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2025 0.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8525 0.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -0.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2815 0.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -0.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2815 -1.4349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2815 -2.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -1.0224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9960 -1.0224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0275 1.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 0.2151 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 -0.6099 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6225 1.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 0.2151 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -0.6099 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8525 -1.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7104 0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3376 1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9086 2.3420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6231 1.1045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6231 2.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6231 3.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9086 1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1942 1.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3376 2.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 2.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7105 -1.4349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4249 -2.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7105 -2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -2.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 2 6 1 0 0 0 0 4 3 1 0 0 0 0 6 4 1 0 0 0 0 4 5 1 6 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 22 1 0 0 0 0 22 9 1 0 0 0 0 9 19 1 0 0 0 0 19 10 1 0 0 0 0 11 10 1 6 0 0 0 16 11 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 1 0 0 0 17 14 1 0 0 0 0 14 16 1 0 0 0 0 14 15 1 1 0 0 0 16 24 1 6 0 0 0 17 35 1 1 0 0 0 19 18 2 0 0 0 0 19 20 1 0 0 0 0 22 21 2 0 0 0 0 22 23 1 0 0 0 0 31 28 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 29 33 1 0 0 0 0 27 31 1 0 0 0 0 26 33 2 0 0 0 0 29 30 2 0 0 0 0 31 32 2 0 0 0 0 33 34 1 0 0 0 0 35 37 1 0 0 0 0 37 36 1 0 0 0 0 37 38 2 0 0 0 0 M CHG 2 20 -1 23 -1 M END > CHEBI:68493 > dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactose(2-) > A dTDP-4-acetamido-4,6-dideoxy-D-galactose(2?) in which the anomeric centre of the pyranose fragment has ?-configuration. > 3 > dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactose > thymidine 5'-[3-(4-acetamido-4,6-dideoxy-alpha-D-galactopyranosyl) diphosphate] > C18H27N3O15P2 > 587.36560 > 587.09284 > -2 > C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1NC(C)=O > InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/p-2/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1 > YHXQWYBLXUELDA-HYPDDMKDSA-L > TDP-FUC4NAC > 17905981 $$$$