171548 -OEChem-02210610262D 32 33 0 1 0 0 0 0 0999 V2000 8.3741 2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7062 3.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 2.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 1.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0849 1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7742 0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7957 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 -0.9281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0687 -1.7328 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 -2.2328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5878 -2.5418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -0.9238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 -1.2328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0840 0.7658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6772 1.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0643 1.7989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4711 1.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 -0.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 0.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7752 0.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1819 0.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0976 -0.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 -3.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0224 -2.8468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 -3.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3962 -3.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3962 -0.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 -0.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5452 3.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 8 7 1 6 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 1 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 1 0 0 0 M END > 1 > 171548 > 4 > 3 > 5 > AAADcQAwc+AAAABAAAAAAAAAAABAYgEAAAAAAAAAAAAAAAAWHgAAAAAIEATFKAgACIEEwAgCwAKQAAAIAAAAGBAAAAAIgQAAQIAAAACAIBIMAEAUACACFqDImAEAAACAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 5-[(1R,5S,6S)-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl]pentanoic acid > InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1/f/h11-13H > 0.139 > C10H16N2O3S > 244.312 > C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 > C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 > 78.43 > 0 > 16 > 3 > 0 > 0 > 0 > 0 > 1 > 3 > 3420 > 2 > KEGG > C00120 > Is a reactant or product of enzyme EC 2.1.3.1 Is a reactant or product of enzyme EC 2.8.1.6 Is a reactant or product of enzyme EC 3.5.1.12 Is a reactant or product of enzyme EC 4.1.1.3 Is a reactant or product of enzyme EC 6.2.1.11 Is a reactant or product of enzyme EC 6.3.4.6 Is a reactant or product of enzyme EC 6.3.4.9 Is a reactant or product of enzyme EC 6.3.4.10 Is a reactant or product of enzyme EC 6.3.4.11 Is a reactant or product of enzyme EC 6.3.4.15 Is a reactant or product of enzyme EC 6.4.1.1 Is a reactant or product of enzyme EC 6.4.1.2 Is a reactant or product of enzyme EC 6.4.1.3 Is a reactant or product of enzyme EC 6.4.1.4 Is a reactant or product of enzyme EC 6.4.1.5 > 58-85-5 Biotin C00120 Coenzyme R D-Biotin Vitamin H > 58-85-5 > C00120 > 442676 442677 1827931 3892005 4930173 4930213 7546399 8569597 14488672 14488673 30749873 30749874 30749875 30749876 30749877 31615813 31615814 31615815 31615816 31615817 31615818 31615819 31615820 31615821 31615822 31615823 31615824 42543470 42543471 47169244 47169395 47169396 47169397 47169398 47169399 47169400 47169401 47169402 47169403 47169404 47169405 55669665 55669666 55669681 55669682 55669692 55670178 55670575 55670576 55670577 56967174 56967175 56967176 56967177 56967178 56967179 56967180 56967181 56967182 56967183 56967184 56967185 56967186 56967187 56967188 56967189 60593823 60593826 60593827 60593828 62738152 62738153 62738154 62738155 62738156 62738157 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C00120 > 171548 1 > 11 28 5 16 31 5 8 7 6 $$$$