Accord 08271317192D 172181 0 0 0 0 0 0 0 0999 V2000 24.5422 6.7072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0877 6.9688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6331 6.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8050 6.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2794 6.2527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3488 6.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3351 7.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8343 7.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8910 5.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4328 6.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9747 5.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5166 6.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0585 5.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1748 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7166 6.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2585 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8004 6.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3422 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8842 6.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4260 6.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9679 6.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0585 5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9679 6.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4659 5.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9639 6.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4619 5.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9599 6.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4580 5.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5609 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0633 5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5658 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0682 5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5706 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0730 5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5754 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0778 5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5803 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0827 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5851 5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0875 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5899 5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0923 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5947 5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0972 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5996 5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1020 5.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0002 8.3786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4124 8.2247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1086 8.7508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6928 8.5839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4211 8.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0718 8.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9698 8.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7820 8.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2806 8.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7380 8.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3663 8.4024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7822 8.5695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1944 8.4155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8906 8.9416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4748 8.7747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2031 8.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8538 8.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7518 8.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8837 9.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0626 8.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5200 9.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1443 7.9905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5601 8.1576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9724 8.0036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6686 8.5298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2527 8.3628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9811 8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6318 7.8941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5298 8.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3420 8.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8406 8.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2979 8.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5495 7.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7525 7.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2849 7.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9263 8.1814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3421 8.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7544 8.1944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4506 8.7206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0347 8.5537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7631 8.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4138 8.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3118 8.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4437 9.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6226 8.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0799 8.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7043 7.7695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1201 7.9365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5324 7.7825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2285 8.3087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8127 8.1418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5411 8.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1917 7.6730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0898 7.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9020 8.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4005 8.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8579 8.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1095 7.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3125 7.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8449 7.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4863 7.9603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9021 8.1273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3144 7.9733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0105 8.4995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5947 8.3326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3231 8.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9737 7.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8718 8.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0037 8.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1825 8.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6399 8.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2643 7.5484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6801 7.7154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0923 7.5614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7885 8.0876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3727 7.9207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1010 8.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 7.4520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6497 7.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4619 7.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9605 8.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4179 8.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6695 7.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8724 7.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 7.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0463 7.7392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4621 7.9063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8743 7.7523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5705 8.2784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1547 8.1115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8830 8.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5337 7.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4317 7.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5637 8.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7425 8.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1999 8.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9202 7.9348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4416 7.5604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2207 6.9944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6165 7.0578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0949 7.4324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8083 7.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6969 7.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8646 6.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3356 7.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3159 7.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 7.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2243 9.0859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8065 9.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2222 9.6937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2285 10.3013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6463 9.8602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4924 10.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7340 9.2638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9016 10.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8514 10.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2306 9.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8734 10.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5979 9.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6986 8.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3702 9.3300 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 2 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 94 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 125124 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 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 148149 1 1 0 0 0 150149 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 144148 1 0 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 162161 1 1 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 163168 1 0 0 0 0 159168 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 170171 1 0 0 0 0 170172 2 0 0 0 0 122159 1 0 0 0 0 M END > LMSP0505BW08 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C112H197N5O53 > 2460.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261363 > - > - > Active (generated by computational methods) > - $$$$