Accord 08271317192D 161170 0 0 0 0 0 0 0 0999 V2000 24.4093 7.0879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8228 7.4256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2360 7.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7484 6.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0702 6.5013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 6.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 5.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8693 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1421 7.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4958 7.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2784 6.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6872 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0959 6.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5047 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9135 6.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3222 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7310 6.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1398 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5486 6.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9573 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3661 6.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7749 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1836 6.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5924 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6446 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0533 7.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4621 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8709 7.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2797 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6884 7.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0972 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5060 7.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9147 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3235 7.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7323 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1410 7.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5499 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9587 7.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 9.0291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7097 9.2446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9512 9.0459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5591 9.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3130 9.5096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9624 9.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 8.9046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3800 9.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1376 9.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 9.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 9.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6012 9.2753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8473 9.4909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0888 9.2922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6967 9.9712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4506 9.7558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1000 9.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9397 9.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5176 9.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6878 10.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2092 9.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5089 10.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7336 8.7438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9797 8.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2212 8.7606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8291 9.4397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5830 9.2243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2324 9.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0721 8.6193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6500 8.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4076 9.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3416 9.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6413 9.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9660 8.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2279 8.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6245 8.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8660 8.2122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1121 8.4278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3536 8.2290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9615 8.9081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7154 8.6927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3648 8.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2045 8.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7824 8.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9527 9.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4740 8.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7737 9.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 7.6807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2445 7.8962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4860 7.6975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0939 8.3765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8478 8.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4972 8.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3369 7.5562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9148 7.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6724 8.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6064 8.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9061 8.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2308 7.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4927 7.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 7.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1308 7.1491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3769 7.3647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6184 7.1659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2263 7.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9802 7.6296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6296 7.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4693 7.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0472 7.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2175 8.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 7.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0385 8.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 7.4015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7694 6.9183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4844 6.1879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7046 6.2698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3220 6.7531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9521 6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 6.7932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0248 5.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 6.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6072 7.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 7.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1703 6.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4761 6.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 6.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0567 7.0246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0638 6.3438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4090 6.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7987 5.5787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9336 6.3435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6167 6.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4230 6.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2879 5.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0277 5.1914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5883 6.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2373 9.6649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6981 10.2341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9441 10.4492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9522 11.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4915 10.6641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2928 11.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6046 9.8945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5304 10.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4656 11.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2455 10.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7845 11.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4290 9.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5589 9.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 9.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7463 10.1703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9925 10.3858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2339 10.1871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8419 10.8661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5957 10.6507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2452 10.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0849 10.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6628 10.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8330 11.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3543 10.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6541 11.1278 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 128129 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 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 127136 1 0 0 0 0 108127 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 143148 1 0 0 0 0 148149 1 0 0 0 0 148150 2 0 0 0 0 87137 1 0 0 0 0 151152 1 1 0 0 0 153152 1 1 0 0 0 154153 1 1 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 155160 1 0 0 0 0 151160 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 156161 1 0 0 0 0 144151 1 0 0 0 0 M END > LMISSP0504BG01 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C102H179N5O52 > 2306.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260860 > - > - > Active (generated by computational methods) > - $$$$