HMDB0004889 RDKit 3D Ganglioside GA2 (d18:1/9Z-18:1) 178180 0 0 0 0 0 0 0 0999 V2000 5.6281 -5.0522 -5.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9463 -6.1831 -6.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 -7.4421 -5.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5654 -8.6646 -5.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 -8.7823 -6.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1335 -8.6290 -5.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 -7.2833 -4.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -7.2190 -3.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2675 -8.1224 -2.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4189 -7.7030 -0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 -6.3213 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 -5.8372 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 -4.3866 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6602 -3.8157 1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3568 -2.3762 1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1615 -1.4807 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7388 -0.0891 0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 0.8565 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 0.5470 -1.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 2.0525 -0.2858 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 2.8720 -1.4826 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1483 2.3347 -2.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1608 2.1173 -2.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7734 1.3254 -1.7194 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0350 0.0323 -2.3381 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 -0.8277 -1.3476 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2176 -2.0115 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 -2.7313 -2.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 -0.2809 -0.1622 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3436 -0.4906 0.9821 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8823 -1.4060 1.8732 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3158 -0.6686 2.9707 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7011 -1.4969 4.0260 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5479 -0.6656 4.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 0.4763 5.3698 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5128 -2.0863 4.6674 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7609 -1.2156 5.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 -1.5641 6.7517 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4340 -0.7756 7.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 -1.2915 8.8554 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1277 -0.2254 9.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1346 0.7425 9.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5556 -2.4715 9.1277 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4708 -2.7329 10.5187 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -2.2852 8.6256 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6328 -1.6775 9.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 -1.4325 7.3499 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8635 -1.7398 6.5231 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -0.7318 6.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9778 -1.0451 5.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 0.4336 6.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7564 -2.8667 3.6276 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5591 -2.9878 4.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9588 -2.5017 2.2094 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2152 -3.6411 1.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 1.0990 -0.2183 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0678 1.1217 -0.2862 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.8000 -1.4477 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2289 3.1656 -1.4002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 4.3395 -1.2362 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9692 4.6634 -0.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 4.7922 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 6.0304 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8595 6.3753 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7597 7.3439 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2482 6.9332 -1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1707 7.9577 -2.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6153 7.5298 -3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 7.4124 -4.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9092 7.0048 -5.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5954 5.6699 -5.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6617 4.5856 -5.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2832 3.2150 -5.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5227 3.1225 -4.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1089 1.7182 -4.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3408 1.6946 -3.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4115 -5.4372 -4.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9783 -4.2550 -5.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8567 -4.5713 -4.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8829 -5.8967 -6.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4510 -6.2515 -7.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3185 -7.6145 -5.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0733 -7.2836 -4.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1705 -8.9426 -6.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8321 -9.5112 -5.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9878 -9.8036 -6.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8621 -8.0942 -6.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2704 -9.4138 -4.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 -8.8671 -5.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 -6.5904 -5.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 -6.8312 -4.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0663 -7.6109 -3.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 -6.1861 -3.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 -9.2144 -2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6323 -8.4526 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 -6.3003 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -5.5878 -1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4959 -5.9500 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7239 -6.4215 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6182 -4.3178 1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 -3.8321 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5047 -3.8702 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9349 -4.4230 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 -2.3731 2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2295 -2.0375 2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 -1.3747 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4908 -1.8562 -0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 0.2528 1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 -0.1524 1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 2.3065 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 2.7123 -1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3513 3.0716 -3.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 1.3959 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2051 0.9982 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 -1.3151 -0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1664 -1.6531 -2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 -2.7134 -1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 -2.1272 -3.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0256 -0.9550 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8088 -1.8156 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 -2.3231 3.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 -1.2575 5.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4691 -0.3260 4.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2034 0.8125 6.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -2.8472 5.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 -2.5798 6.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4816 -1.6281 9.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 -0.7166 10.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 0.1759 9.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9689 0.2803 10.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 -3.4222 8.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 -3.4997 10.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2756 -3.2847 8.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1886 -1.7636 10.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 -0.3829 7.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0331 -2.7105 6.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 -0.9527 4.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7897 -0.3305 5.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3688 -2.0634 5.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 -3.9325 3.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 -3.8973 3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0651 -2.1777 1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2024 -3.7291 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3663 1.7222 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3742 2.0478 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 1.5331 -2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6248 3.5317 -2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9571 4.8515 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0499 3.9307 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0477 4.0272 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0603 6.8095 -0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 5.4392 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 6.8236 1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3376 8.3616 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6702 7.4446 0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 5.9985 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 6.7952 -2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 8.0503 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 8.9448 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0546 6.5076 -3.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3657 8.2168 -3.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6793 6.7181 -4.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9754 8.4227 -4.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 6.9659 -6.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6102 7.7743 -6.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7795 5.4412 -6.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5866 5.6513 -5.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 4.8225 -4.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 4.5533 -5.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 2.8643 -6.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 2.5234 -4.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 3.7980 -4.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2473 3.3819 -3.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3595 1.4373 -5.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3781 0.9687 -4.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2357 1.0110 -2.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2018 1.3049 -4.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6325 2.7223 -3.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 33 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 40 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 2 0 36 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 29 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 21 60 1 0 60 61 1 0 60 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 75 76 1 0 58 24 1 0 54 31 1 0 47 38 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 0 2 81 1 0 3 82 1 0 3 83 1 0 4 84 1 0 4 85 1 0 5 86 1 0 5 87 1 0 6 88 1 0 6 89 1 0 7 90 1 0 7 91 1 0 8 92 1 0 8 93 1 0 9 94 1 0 10 95 1 0 11 96 1 0 11 97 1 0 12 98 1 0 12 99 1 0 13100 1 0 13101 1 0 14102 1 0 14103 1 0 15104 1 0 15105 1 0 16106 1 0 16107 1 0 17108 1 0 17109 1 0 20110 1 0 21111 1 6 22112 1 0 22113 1 0 24114 1 1 26115 1 1 27116 1 0 27117 1 0 28118 1 0 29119 1 1 31120 1 6 33121 1 6 34122 1 0 34123 1 0 35124 1 0 36125 1 1 38126 1 6 40127 1 1 41128 1 0 41129 1 0 42130 1 0 43131 1 6 44132 1 0 45133 1 6 46134 1 0 47135 1 1 48136 1 0 50137 1 0 50138 1 0 50139 1 0 52140 1 6 53141 1 0 54142 1 6 55143 1 0 56144 1 1 57145 1 0 58146 1 6 59147 1 0 60148 1 6 61149 1 0 62150 1 0 63151 1 0 64152 1 0 64153 1 0 65154 1 0 65155 1 0 66156 1 0 66157 1 0 67158 1 0 67159 1 0 68160 1 0 68161 1 0 69162 1 0 69163 1 0 70164 1 0 70165 1 0 71166 1 0 71167 1 0 72168 1 0 72169 1 0 73170 1 0 73171 1 0 74172 1 0 74173 1 0 75174 1 0 75175 1 0 76176 1 0 76177 1 0 76178 1 0 M END