Mrv0541 07111417112D 36 38 0 0 1 0 999 V2000 -1.0716 -1.4436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3571 -1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 -1.4435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3574 -0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0716 -0.6187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6326 -1.5263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9650 -1.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3777 -2.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2978 -1.5265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5528 -2.3110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0679 -2.9786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -1.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9297 -1.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 -1.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 -1.4433 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7865 -2.2683 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2152 -1.4429 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 -2.2679 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1317 -1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 -1.2712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8461 -1.2709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1313 -0.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8459 -0.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1319 -2.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1312 0.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5603 -0.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0719 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -1.8562 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3574 0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -2.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 6 0 0 0 1 2 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 6 1 1 0 0 0 0 6 5 1 0 0 0 0 7 23 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 10 13 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 13 14 1 0 0 0 0 20 14 1 0 0 0 0 15 20 2 0 0 0 0 20 16 1 0 0 0 0 16 18 1 0 0 0 0 18 17 2 0 0 0 0 18 31 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 22 28 2 0 0 0 0 23 22 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 27 1 0 0 0 0 27 30 2 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 6 36 1 6 0 0 0 3 31 1 6 0 0 0 M CHG 3 19 -1 21 -1 32 1 M END > CHEBI:78301 > dTDP-beta-L-rhodosamine(1-) > A nucleotide-sugar oxoanion that is the conjugate base of dTDP-β-L-rhodosamine, arising from deprotonation of the diphosphate group and protonation of the amino group; major species at pH 7.3. > 3 > dTDP-beta-L-rhodosamine > C18H30N3O13P2 > 558.39120 > 558.12594 > -1 > C[C@@H]1O[C@@H](C[C@@H]([C@@H]1O)[NH+](C)C)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O > InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-17(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-15-5-11(20(3)4)16(23)10(2)31-15/h7,10-16,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/p-1/t10-,11-,12-,13+,14+,15+,16+/m0/s1 > XPIWJCQKSXFPJI-WYVHVMBXSA-M > CPD-15764 > 15911373 $$$$