Accord 08271317192D 168177 0 0 0 0 0 0 0 0999 V2000 24.5422 6.7069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0877 6.9685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6330 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8049 6.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2794 6.2523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3488 6.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3351 7.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8343 7.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8909 5.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4327 6.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9746 5.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5164 6.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0584 5.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1747 6.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7165 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2584 6.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8003 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3420 6.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8840 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4258 6.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9677 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0584 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9677 6.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4656 5.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9637 6.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4617 5.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9596 6.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4577 5.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5607 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0631 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5655 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0679 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5703 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0727 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5751 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0775 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5799 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0823 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5847 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0871 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5895 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0919 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0001 8.3784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4123 8.2244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1085 8.7506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6927 8.5837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4210 8.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0717 8.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9697 8.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7819 8.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2805 8.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7379 8.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3662 8.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7820 8.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1942 8.4152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8904 8.9414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4746 8.7745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2029 8.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8537 8.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7516 8.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8836 9.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0625 8.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5198 9.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1441 7.9903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5599 8.1573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9721 8.0033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6683 8.5295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2525 8.3626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9808 8.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6315 7.8938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5295 8.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3417 8.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8403 8.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2977 8.7323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5493 7.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7523 7.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2847 7.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9260 8.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3418 8.3482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7540 8.1942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4502 8.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0344 8.5534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7627 8.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4134 8.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3114 8.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4434 9.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6222 8.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0796 8.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7039 7.7692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1197 7.9362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5319 7.7823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2281 8.3084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8123 8.1415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5406 8.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1913 7.6728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0893 7.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9015 8.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4001 8.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8575 8.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1091 7.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3121 7.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8444 7.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4858 7.9600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9016 8.1271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3138 7.9731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0100 8.4993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5942 8.3324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3225 8.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9732 7.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8712 8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 8.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1820 8.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6394 8.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 7.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6795 7.7152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0917 7.5612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7879 8.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3721 7.9205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1004 8.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 7.4517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 7.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4613 7.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9599 8.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4173 8.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6689 7.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8718 7.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 7.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0456 7.7390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4614 7.9060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8736 7.7520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5698 8.2782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1540 8.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8823 8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5330 7.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 7.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5629 8.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7418 8.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1992 8.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9194 7.9346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4408 7.5601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2199 6.9941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6157 7.0576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0941 7.4321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8075 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 7.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8638 6.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 7.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 7.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8216 7.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2237 9.0857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8059 9.5268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2216 9.6935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2279 10.3011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6458 9.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4918 10.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7335 9.2636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9010 10.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8508 10.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2301 9.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8729 10.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5974 9.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6980 8.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3696 9.3298 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 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 127133 1 0 0 0 0 144145 1 1 0 0 0 146145 1 1 0 0 0 147146 1 1 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 148153 1 0 0 0 0 144153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 149154 1 0 0 0 0 140144 1 0 0 0 0 155156 1 1 0 0 0 157156 1 1 0 0 0 158157 1 1 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 159164 1 0 0 0 0 155164 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 166167 1 0 0 0 0 166168 2 0 0 0 0 118155 1 0 0 0 0 M END > LMSP0505BW04 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C108H191N5O53 > 2406.24 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261359 > - > - > Active (generated by computational methods) > - $$$$