HMDB0004890 RDKit 3D Ganglioside GA2 (d18:1/16:0) 174176 0 0 0 0 0 0 0 0999 V2000 -2.4009 -3.8725 -4.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5551 -2.8660 -3.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5963 -3.1808 -2.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7287 -2.2057 -1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4487 -0.7934 -1.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5211 0.2115 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2335 1.5702 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 2.6606 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9653 3.9833 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9672 5.1619 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 5.0737 1.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 6.3032 2.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 6.4244 3.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8128 5.2992 4.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 4.4924 4.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6871 3.3760 5.6227 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5763 3.4850 6.4249 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 2.0128 4.8800 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0265 2.0617 4.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 1.0789 3.3584 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9387 -0.0363 3.9756 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2784 -0.1146 3.5374 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4545 -0.7048 2.3044 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7320 -0.1262 1.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7693 -0.4146 2.5905 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 -0.3502 1.4151 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4763 -0.7608 0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 0.3401 -0.7357 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4822 0.6884 -1.4569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8165 1.9452 -2.0197 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6387 2.8344 -2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 4.0424 -2.7086 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6139 1.7657 -3.2624 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9526 1.8233 -4.4467 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5213 2.5959 -5.4376 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7636 3.7789 -5.6687 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 4.5404 -6.5093 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1960 6.0003 -6.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3097 6.5687 -5.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3909 4.0314 -7.9193 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0706 4.1479 -8.3089 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8809 2.5847 -7.9354 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3063 1.9936 -9.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4584 1.8123 -6.7175 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2172 0.5729 -6.6635 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 -0.6915 -6.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3484 -1.9701 -6.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -0.8455 -6.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3613 0.4063 -3.1114 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4109 -0.5590 -3.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7935 0.2469 -1.6696 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7101 1.2886 -1.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 -1.1299 1.9374 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8708 -0.5309 1.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2096 -1.2552 3.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -1.4932 4.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 1.8756 4.0447 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.5726 4.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 1.4171 5.7347 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8846 1.4367 3.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2002 1.4059 4.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 1.1888 3.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6396 1.2457 4.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8273 0.9297 3.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7670 -0.5118 2.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9063 -0.9218 1.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8236 -2.3921 1.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8893 -3.2683 2.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8307 -4.7269 2.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6150 -5.2356 1.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6311 -6.7447 1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7961 -7.2184 0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6915 -8.7384 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7498 -9.2771 2.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9244 -4.8179 -4.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3569 -4.1386 -4.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7327 -3.4592 -5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 -1.8713 -3.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 -2.9475 -2.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 -3.2292 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8589 -4.1889 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8042 -2.2399 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -2.4886 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4325 -0.7834 -1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -0.4742 -2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5057 0.1967 0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.0610 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 1.7805 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 1.5438 -1.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 2.6767 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 2.4460 0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7839 4.1409 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0191 3.8413 -1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9169 6.1405 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 5.1500 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 4.9565 0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1523 4.1905 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 7.2328 1.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 6.3645 2.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 6.5346 3.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 7.3752 4.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 5.1027 4.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7768 4.7886 4.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 3.3475 6.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 3.8843 7.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 1.2550 5.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 3.0324 3.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8351 2.0824 5.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9212 0.0433 5.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -1.7970 2.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5657 0.9463 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9626 -0.6936 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3171 -1.1662 2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 0.7408 1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7614 1.2514 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4921 2.4340 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 3.1198 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8307 2.4760 -2.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 4.5872 -2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4596 2.4873 -3.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 2.9923 -5.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6508 4.3851 -6.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 6.5395 -7.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 6.0749 -6.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1816 6.9624 -5.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 4.6051 -8.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 3.7243 -7.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 2.5898 -8.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3804 2.3662 -9.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 1.5248 -6.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2545 0.5738 -6.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 -1.8173 -6.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 -2.6187 -5.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3865 -2.4993 -7.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1905 0.3765 -3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7451 -1.3013 -3.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3455 -0.7170 -1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5779 1.0162 -1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1053 -2.1267 1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1541 -1.0542 2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8819 -2.1235 3.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -2.2914 4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 2.0029 3.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8256 0.4888 3.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9339 2.2725 2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 0.6729 5.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3817 2.3950 4.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2444 0.2491 2.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3885 2.0380 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7332 2.2441 4.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5663 0.4461 5.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7594 1.1178 3.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 1.6455 2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7936 -0.7787 2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8654 -1.1038 3.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8378 -0.3563 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8739 -0.6808 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7204 -2.5924 0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9330 -2.5363 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8728 -3.0508 3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1049 -3.0367 3.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7763 -5.0616 2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8495 -5.2480 3.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -4.7841 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6753 -5.0001 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6165 -7.1924 2.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7054 -7.0287 1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6474 -6.7716 -0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7464 -6.9515 1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5485 -9.0811 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7101 -8.9892 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7535 -9.1828 2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4412 -8.6881 2.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0662 -10.3441 2.0914 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 37 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 2 0 33 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 26 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 18 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 60 61 1 0 61 62 1 0 62 63 1 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 55 21 1 0 51 28 1 0 44 35 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 2 79 1 0 3 80 1 0 3 81 1 0 4 82 1 0 4 83 1 0 5 84 1 0 5 85 1 0 6 86 1 0 6 87 1 0 7 88 1 0 7 89 1 0 8 90 1 0 8 91 1 0 9 92 1 0 9 93 1 0 10 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 15103 1 0 16104 1 1 17105 1 0 18106 1 1 19107 1 0 19108 1 0 21109 1 1 23110 1 1 24111 1 0 24112 1 0 25113 1 0 26114 1 6 28115 1 1 30116 1 1 31117 1 0 31118 1 0 32119 1 0 33120 1 6 35121 1 1 37122 1 1 38123 1 0 38124 1 0 39125 1 0 40126 1 6 41127 1 0 42128 1 6 43129 1 0 44130 1 6 45131 1 0 47132 1 0 47133 1 0 47134 1 0 49135 1 6 50136 1 0 51137 1 6 52138 1 0 53139 1 6 54140 1 0 55141 1 0 56142 1 0 57143 1 0 60144 1 0 60145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 63150 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 74174 1 0 M END