Accord 08271317192D 165174 0 0 0 0 0 0 0 0999 V2000 24.3415 7.4530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6878 7.8293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0339 7.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7195 6.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 6.7992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2787 6.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2787 5.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6250 6.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0437 8.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3233 8.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9664 6.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3074 6.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6485 6.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9895 6.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3306 6.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3746 7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7157 7.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0567 7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3977 7.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7387 7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0799 7.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4208 7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7618 7.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3306 5.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7618 6.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0398 6.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3178 6.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5957 6.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8737 6.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1517 6.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6149 5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8992 5.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1835 5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4677 5.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7520 5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0363 5.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3206 5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6049 5.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8891 5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1734 5.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4577 5.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7420 5.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4021 9.6169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5618 9.8572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7164 9.6357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2794 10.3925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1197 10.1524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7289 10.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6649 9.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0798 9.8063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8097 10.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9652 10.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1847 10.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2118 9.8914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3715 10.1316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5261 9.9101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0891 10.6670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9293 10.4269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5386 10.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4745 9.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8895 10.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0792 11.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7748 10.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9944 10.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0156 9.2989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1754 9.5392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3299 9.3177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8929 10.0745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7332 9.8344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3425 10.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2784 9.1602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6933 9.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4232 9.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5787 10.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7982 10.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1601 8.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4520 8.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7795 8.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8253 9.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9850 9.8137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1396 9.5922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7026 10.3490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5429 10.1089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1521 10.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0880 9.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5030 9.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6928 10.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3884 10.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6079 10.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6291 8.9809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7889 9.2212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9435 8.9997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5065 9.7565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3467 9.5165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9560 9.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8919 8.8422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3069 9.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0367 9.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1922 9.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4118 10.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7736 8.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0656 8.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3930 8.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 9.2554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5985 9.4957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7531 9.2742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3161 10.0310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1564 9.7909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7656 10.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7016 9.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1165 9.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3063 10.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0019 10.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2214 10.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2416 9.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8621 8.4595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1280 8.6518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2144 8.4432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7777 9.1005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2901 8.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4149 8.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 8.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 7.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5119 8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0100 11.1925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4091 11.8270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5686 12.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5777 12.9406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1787 12.3062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9573 12.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3049 11.4484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1075 12.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0353 12.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0192 12.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5054 12.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1091 11.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2539 11.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7815 11.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4374 12.7164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8365 13.3509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9960 13.5906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0051 14.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6062 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3847 14.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7323 12.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5349 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2472 14.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4466 13.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9328 14.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 14.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9588 14.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1134 14.1723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6764 14.9291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5166 14.6890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1259 14.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 14.0148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 14.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6665 15.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3621 14.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5817 15.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9435 13.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2355 13.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5629 13.8304 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 118119 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 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 112117 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 138139 1 0 0 0 0 138140 2 0 0 0 0 91127 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 135141 1 0 0 0 0 152153 1 1 0 0 0 154153 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 152161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 163164 1 0 0 0 0 163165 2 0 0 0 0 148152 1 0 0 0 0 M END > LMISSP0505EG03 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C106H187N5O52 > 2362.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261782 > - > - > Active (generated by computational methods) > - $$$$