Marvin 03300615022D 36 38 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 3 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 2 0 0 0 0 0 0 0 0 0 -4.7104 -1.4349 0.0000 O 0 0 0 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 3 0 0 0 0 0 0 0 0 0 -1.0275 -0.6099 0.0000 O 0 0 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 3 0 0 0 0 0 0 0 0 0 0.6225 -0.6099 0.0000 O 0 0 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 -5.4248 -0.1974 0.0000 O 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 1 30 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 23 1 0 0 0 0 23 9 1 0 0 0 0 9 20 1 0 0 0 0 20 10 1 0 0 0 0 11 10 1 0 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 26 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 25 1 6 0 0 0 17 18 1 6 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 27 1 0 0 0 0 33 30 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 31 35 1 0 0 0 0 29 33 1 0 0 0 0 28 35 2 0 0 0 0 31 32 2 0 0 0 0 33 34 2 0 0 0 0 35 36 1 0 0 0 0 M END > CHEBI:35248 > dTDP-D-glucose > 3 > thymidine 5'-[3-(D-glucopyranosyl) dihydrogen diphosphate] > C16H26N2O16P2 > 564.32904 > 564.07576 > 0 > Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O > InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15?/m0/s1 > YSYKRGRSMLTJNL-KFQCIAAJSA-N $$$$