Marvin 07101210212D 25 25 0 0 1 0 999 V2000 9.8424 -3.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -4.1944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1279 -5.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8424 -5.4319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5570 -5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2715 -3.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8423 -6.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9858 -4.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2715 -2.9570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4135 -3.7818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6990 -4.1943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4136 -2.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 -3.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6990 -5.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2702 -4.1942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1280 -3.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5570 -4.1944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5570 -3.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4135 -5.4319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1280 -6.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4135 -6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6990 -6.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5557 -3.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8412 -4.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5557 -2.9566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 1 0 0 0 2 3 1 0 0 0 0 3 19 1 1 0 0 0 3 4 1 0 0 0 0 4 7 1 6 0 0 0 4 5 1 0 0 0 0 17 1 1 0 0 0 0 17 5 1 0 0 0 0 17 6 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 1 0 0 0 11 13 1 0 0 0 0 11 14 1 6 0 0 0 13 15 1 0 0 0 0 17 18 1 6 0 0 0 19 21 1 0 0 0 0 21 20 1 0 0 0 0 21 22 2 0 0 0 0 24 23 1 0 0 0 0 25 23 2 0 0 0 0 15 23 1 0 0 0 0 M END > CHEBI:65188 > 9-deoxy-9-acetamido-N-acetyl-alpha-neuraminic acid > An N-acetylneuraminic acid that is N-acetyl-α-neuraminic acid in which the 9-hydroxy group has been replaced by an acetamido group. > 3 > 9NAcNeu5Acalpha; 9-deoxy-9-(acetylamino)-N-acetyl-alpha-neuraminic acid > 5,9-diacetamido-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid > C13H22N2O9 > 350.32180 > 350.13253 > 0 > [H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(C)=O > InChI=1S/C13H22N2O9/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(23,24-11)12(21)22/h7-11,18-20,23H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8+,9+,10+,11+,13+/m0/s1 > VOVFDZJABRGWTQ-CTAKWSDESA-N > 19443021 $$$$