Accord 08271317192D 171180 0 0 0 0 0 0 0 0999 V2000 24.3769 7.3220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7584 7.6781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1397 7.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7346 6.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0193 6.7034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3714 6.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3714 5.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7529 6.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0951 8.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4136 8.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1297 6.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5062 6.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8827 6.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2592 6.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6358 6.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5160 7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8925 7.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2690 7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6455 7.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0219 7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 7.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7750 7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1515 7.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6358 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1515 6.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4683 6.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7852 6.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1020 6.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4188 6.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7357 6.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2815 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6043 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9271 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2499 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5727 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8955 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2183 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5411 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8639 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1867 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5096 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8324 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1552 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4780 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8008 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1236 5.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4343 9.3695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6393 9.5968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8394 9.3872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4259 10.1033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2209 9.8762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8512 10.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7367 9.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2370 9.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9814 9.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0209 10.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2824 10.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4157 9.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6207 9.8565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8208 9.6469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4073 10.3630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2023 10.1359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8326 10.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7182 9.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2184 9.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3980 10.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0023 10.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2638 10.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3916 9.0686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5966 9.2959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7967 9.0863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3832 9.8024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1782 9.5753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8085 9.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6941 8.9373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1944 9.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9387 9.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9782 9.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2398 10.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5822 8.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8584 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2220 8.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3730 9.3283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5780 9.5556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7781 9.3460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3646 10.0621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1597 9.8350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7899 10.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6755 9.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1758 9.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3553 10.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9596 10.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2212 10.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6555 10.8602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8605 11.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0605 10.8780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6471 11.5941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4421 11.3669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0724 11.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9579 10.7290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4582 11.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2026 11.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2421 11.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5036 11.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8460 10.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1222 10.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4859 10.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 11.1199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8419 11.3472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0420 11.1377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6285 11.8538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4235 11.6266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0538 11.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9393 10.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4396 11.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6192 12.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2235 11.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4850 12.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 10.9887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1451 10.3668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4505 10.5488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5861 10.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1191 10.9734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6577 10.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6681 10.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 10.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5861 9.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8138 10.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7434 11.3861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9434 11.1771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3615 10.5895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6410 10.9955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4410 11.2046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0141 11.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2098 10.9181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7609 10.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4536 11.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0230 11.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2379 11.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 10.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5408 10.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 10.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3490 8.7677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5490 8.5587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9671 7.9711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2466 8.3770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0466 8.5862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6197 8.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8154 8.2997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3665 7.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9947 7.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6286 9.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8435 9.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8079 8.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1464 8.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4979 7.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4290 7.7123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8604 8.3126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0652 8.5394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0738 9.3663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6425 8.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4329 9.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7618 7.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6289 8.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3029 9.7720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4377 8.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9515 9.1677 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 97 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 118123 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 119133 1 0 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 150149 1 1 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 151156 1 0 0 0 0 147156 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 158159 1 0 0 0 0 158160 2 0 0 0 0 94147 1 0 0 0 0 161162 1 1 0 0 0 163162 1 1 0 0 0 164163 1 1 0 0 0 164165 1 0 0 0 0 165166 1 0 0 0 0 165170 1 0 0 0 0 161170 1 0 0 0 0 162167 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 166171 1 0 0 0 0 155161 1 0 0 0 0 M END > LMSP0505EI06 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-6(Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C112H199N5O52 > 2446.31 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261801 > - > - > Active (generated by computational methods) > - $$$$