Accord 08271317192D 161170 0 0 0 0 0 0 0 0999 V2000 24.4093 6.8030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8228 7.1408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2360 6.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7484 6.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0702 6.2164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 5.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 5.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8693 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1421 7.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4958 7.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2784 5.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6872 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0959 5.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5047 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9135 5.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3222 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7310 5.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1398 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5486 5.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9573 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3661 5.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7749 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1836 5.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5924 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6446 7.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0533 6.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4621 7.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8709 6.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2797 7.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6884 6.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0972 7.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5060 6.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9147 7.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3235 6.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7323 7.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1410 6.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5499 7.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9587 6.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 8.7442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7097 8.9598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9512 8.7610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5591 9.4401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3130 9.2247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9624 9.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 8.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3800 8.9141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1376 9.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 9.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 9.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6012 8.9905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8473 9.2060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0888 9.0073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6967 9.6863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4506 9.4709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1000 9.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9397 8.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5176 9.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6878 10.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2092 9.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5089 9.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7336 8.4589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9797 8.6745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2212 8.4757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8291 9.1548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5830 8.9394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2324 9.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0721 8.3344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6500 8.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4076 8.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3416 9.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6413 9.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9660 8.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2279 7.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6245 8.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8660 7.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1121 8.1429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3536 7.9442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9615 8.6232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7154 8.4078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3648 8.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2045 7.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7824 8.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9527 9.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4740 8.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7737 8.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 7.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2445 7.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4860 7.4126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0939 8.0916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8478 7.8762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4972 8.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3369 7.2713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9148 7.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6724 7.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6064 8.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9061 8.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2308 7.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4927 6.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 7.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1308 6.8642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3769 7.0798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6184 6.8810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2263 7.5601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9802 7.3447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6296 7.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4693 6.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0472 7.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2175 8.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 7.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0385 7.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 7.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7694 6.6335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4844 5.9030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7046 5.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3220 6.4682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9521 6.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 6.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0248 5.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 6.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6072 7.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1703 6.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4761 6.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 6.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2373 9.3800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6981 9.9493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9441 10.1643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9522 10.9484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4915 10.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2928 10.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6046 9.6096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5304 10.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4656 10.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2455 10.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7845 10.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4290 9.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5589 9.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 9.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7463 9.8854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9925 10.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2339 9.9022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8419 10.5813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5957 10.3659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2452 10.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0849 9.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6628 10.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8330 11.0229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3543 10.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6541 10.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6722 9.7609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6793 9.0801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0246 8.8933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4143 8.3150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5491 9.0798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2322 8.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 9.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9034 8.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6433 7.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2039 9.2667 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 16 17 1 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 24 25 1 0 0 0 0 3 26 2 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 31 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 95102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 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 87127 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 134141 1 0 0 0 0 152153 1 1 0 0 0 153154 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 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 152161 1 0 0 0 0 147152 1 0 0 0 0 M END > LMISSP0504BJ01 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C102H179N5O52 > 2306.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260884 > - > - > Active (generated by computational methods) > - $$$$