HMDB0006607 RDKit 3D 3'-Sialyllactosamine 83 84 0 0 0 0 0 0 0 0999 V2000 -7.4894 0.4948 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2549 0.1447 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2770 0.1212 -1.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0654 -0.1598 0.1783 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 -0.5154 -0.4935 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6984 0.3979 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9776 1.0218 -1.2963 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2285 2.0849 -0.7387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 1.6153 -2.3452 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9583 2.2140 -3.2789 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7445 2.7188 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0189 3.7557 -1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 -0.0267 0.7675 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6137 -1.3698 0.9903 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2324 -1.6015 1.1332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 -0.9079 2.1609 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0995 -1.6661 3.1811 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3868 -2.7799 3.6677 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3479 -2.1521 2.5408 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2422 -3.6491 2.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3727 -3.9369 1.2265 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 -1.5434 1.4164 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -0.2140 1.2675 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6954 0.0869 -0.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7909 0.9899 -0.2692 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1728 2.2380 -0.9079 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2408 2.8114 -0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 1.8385 -2.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4052 0.9345 -1.8839 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7919 0.3736 -1.1847 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0126 -0.9684 -0.6893 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1938 0.9854 -1.1213 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0597 0.2508 -2.0502 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 2.4134 -1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 3.1281 -0.1413 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2015 0.2467 1.7221 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3125 1.1830 2.7686 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3953 -1.7112 2.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 -0.8103 2.8887 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5654 -2.9937 2.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1143 -2.2390 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5981 -1.9699 -0.2379 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2238 -2.7690 -1.1818 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3810 0.0241 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3972 0.2906 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5934 1.6162 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0631 -0.1355 1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.4473 -1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1919 1.2946 0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 0.3472 -1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 2.5976 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 0.9134 -2.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1844 2.0197 -4.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5921 2.4112 -1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 3.1994 -2.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5802 4.3478 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 -0.3616 2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3689 -1.0029 4.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -3.3741 2.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1605 -2.0553 3.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8895 -4.1343 3.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2888 -3.9754 2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -4.6211 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 0.3538 1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2386 1.2525 0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 2.9281 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 3.8087 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 2.7675 -2.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 1.4876 -2.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 0.5417 -2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4945 0.2252 -2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2558 -0.9425 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 0.6429 -0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4456 -0.6086 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 0.1757 -2.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5597 3.0156 -2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 0.7658 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 1.7273 2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4272 -3.8386 2.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 -3.2953 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5692 -2.1235 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0155 -2.2102 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8604 -3.6935 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 6 13 1 0 13 14 1 0 14 15 1 1 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 25 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 23 36 1 0 36 37 1 0 14 38 1 0 38 39 2 0 38 40 1 0 14 41 1 0 41 42 1 0 42 43 1 0 42 5 1 0 36 16 1 0 1 44 1 0 1 45 1 0 1 46 1 0 4 47 1 0 5 48 1 6 6 49 1 0 7 50 1 6 8 51 1 0 9 52 1 6 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 16 57 1 1 17 58 1 1 18 59 1 0 19 60 1 1 20 61 1 0 20 62 1 0 21 63 1 0 23 64 1 1 25 65 1 1 26 66 1 6 27 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 30 71 1 6 31 72 1 0 32 73 1 1 33 74 1 0 33 75 1 0 34 76 1 0 36 77 1 6 37 78 1 0 40 79 1 0 41 80 1 0 41 81 1 0 42 82 1 1 43 83 1 0 M END