Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.4088 7.2011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8218 7.5390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2347 7.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 6.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0694 6.6141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4545 6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4545 5.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8676 6.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1413 8.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4946 8.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2763 6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6846 6.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0929 6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5013 6.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9097 6.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6428 7.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0511 7.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4595 7.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8678 7.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2761 7.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6846 7.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0928 7.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5012 7.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9097 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5012 6.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8529 6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2046 6.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5563 6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9080 6.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2598 6.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2671 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6245 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9819 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3392 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6966 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0540 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4114 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7688 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1262 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4836 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8409 5.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1983 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4632 9.1440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7087 9.3597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9497 9.1608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5573 9.8404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3117 9.6248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9609 9.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8012 9.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3781 9.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1355 9.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0709 9.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3701 10.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5987 9.3904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8443 9.6061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0852 9.4073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6928 10.0868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4473 9.8712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0964 10.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9368 9.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5136 9.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6840 10.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2064 10.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5057 10.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7290 8.8585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9746 9.0742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2155 8.8753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8232 9.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5776 9.3393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2268 9.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0671 8.7339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6439 9.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4014 9.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3367 9.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6360 9.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9609 8.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2230 8.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6191 8.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8646 9.1049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1101 9.3206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3511 9.1218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9587 9.8013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7131 9.5857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3623 9.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2026 8.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7795 9.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9498 10.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4723 9.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7715 10.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9949 8.5730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2404 8.7887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4814 8.5898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0890 9.2693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8434 9.0538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4926 9.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3329 8.4484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9098 8.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6672 9.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6026 9.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9018 9.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2267 8.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4889 8.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8850 8.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1304 8.8194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3760 9.0351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6169 8.8363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2245 9.5158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9790 9.3002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6281 9.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4685 8.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0453 8.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2157 9.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7381 9.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0374 9.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3846 9.0720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7666 8.5885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4814 7.8575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7010 7.9394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3188 8.4231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9487 8.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0963 8.4633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0214 7.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 8.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 9.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 8.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1678 8.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4738 8.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 8.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2347 10.5586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6951 11.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9405 11.3435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9487 12.1282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4883 11.5586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2895 11.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 10.7884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5265 11.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 12.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2429 11.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7816 11.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4258 10.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5558 10.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1316 10.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9249 11.9269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3853 12.4965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6307 12.7118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6389 13.4964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1785 12.9268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9797 13.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2918 12.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 13.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8563 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9331 12.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4718 13.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5560 13.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8016 13.4329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0425 13.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6501 13.9136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4046 13.6980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0537 13.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8941 13.0927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4709 13.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6413 14.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1637 13.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4630 14.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7879 12.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 12.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4461 12.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 91131 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 139145 1 0 0 0 0 156157 1 1 0 0 0 158157 1 1 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 160165 1 0 0 0 0 156165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 167168 1 0 0 0 0 167169 2 0 0 0 0 152156 1 0 0 0 0 M END > LMSP0505EH03 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C108H190N6O53 > 2419.24 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261790 > - > - > Active (generated by computational methods) > - $$$$