HMDB0012206 RDKit 3D CMP-N-glycoloylneuraminate 73 75 0 0 0 0 0 0 0 0999 V2000 12.0212 0.5245 -0.4026 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6396 0.2702 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 0.1567 -1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 -0.0928 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9395 -0.2261 0.3332 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 -0.4815 0.6726 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7875 -0.8016 -0.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5272 -0.9337 0.1628 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4129 -0.9555 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 -1.0871 -0.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9154 -1.1182 -1.2819 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9290 -2.4613 -2.0036 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 0.1527 -2.3668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5524 -0.9581 -0.4801 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 0.3641 -0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 0.6086 0.1898 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1442 0.2277 1.5258 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4085 -0.0932 -0.4939 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4615 0.3315 -1.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6866 0.4035 0.1963 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6657 0.0127 1.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6104 -0.7385 2.0216 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0893 -0.0470 3.1657 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9624 -1.9843 2.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9182 -2.2517 3.7941 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3719 -2.9129 1.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 -1.1312 1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5000 -1.2713 -0.2101 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7057 -2.3601 -0.4822 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8766 0.0443 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9015 1.0617 -0.4982 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4519 1.7587 -1.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0463 1.4983 -2.7473 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4936 2.7837 -1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9024 3.3515 -2.5918 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3926 0.3340 1.0089 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8889 0.0243 2.2569 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8521 0.7689 1.1777 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1650 1.0389 2.4917 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 -0.1115 1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4758 -0.2263 2.5285 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1454 0.1295 1.0967 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3561 1.1841 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7388 0.0261 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1215 0.2668 -2.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7057 -0.1777 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 -1.2870 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4897 -1.8429 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 -1.8252 -1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 -0.0048 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 0.9076 -1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 0.7742 -1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 0.9633 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4434 1.7016 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2463 0.3437 1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3221 -1.1777 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 1.2952 -1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5987 1.5277 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2839 0.2845 3.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4047 -3.1973 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1524 -2.1436 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6752 -0.4669 1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4815 -1.3302 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2825 -3.0510 -0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6279 -0.0665 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2437 1.2839 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1844 3.5709 -0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4169 2.3235 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6031 2.7919 -2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8011 1.0941 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1319 -0.9054 2.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0832 1.6051 0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6148 1.9301 2.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 2 0 24 26 1 0 22 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 8 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 5 40 1 0 40 41 2 0 40 42 1 0 42 2 2 0 38 6 1 0 30 20 1 0 1 43 1 0 1 44 1 0 3 45 1 0 4 46 1 0 6 47 1 1 8 48 1 1 9 49 1 0 9 50 1 0 13 51 1 0 15 52 1 0 15 53 1 0 16 54 1 1 17 55 1 0 18 56 1 6 19 57 1 0 20 58 1 1 23 59 1 0 26 60 1 0 27 61 1 0 27 62 1 0 28 63 1 6 29 64 1 0 30 65 1 0 31 66 1 0 34 67 1 0 34 68 1 0 35 69 1 0 36 70 1 6 37 71 1 0 38 72 1 6 39 73 1 0 M END