Accord 08271317192D 150158 0 0 0 0 0 0 0 0999 V2000 24.3417 7.4550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6882 7.8312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0345 7.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7195 6.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9639 6.8014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2792 6.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2792 5.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6257 6.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0439 8.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3238 8.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9673 6.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3086 6.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6498 6.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9910 6.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3324 6.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3754 7.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7167 7.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0579 7.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3991 7.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7403 7.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0817 7.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4228 7.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7641 7.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3324 5.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7641 6.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0422 6.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3205 6.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5986 6.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8768 6.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1550 6.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6169 5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9014 5.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1859 5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4703 5.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7548 5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0393 5.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3238 5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6083 5.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8928 5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1773 5.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4023 9.6182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5623 9.8584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7171 9.6370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2802 10.3936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1203 10.1536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7296 10.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6653 9.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0807 9.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8106 10.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9655 10.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1853 10.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2129 9.8926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3729 10.1328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5278 9.9114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0909 10.6680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9309 10.4280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5403 10.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4759 9.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8913 10.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0810 11.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7761 10.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9959 10.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0178 9.3003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1778 9.5405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3326 9.3191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8957 10.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7357 9.8357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3451 10.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2807 9.1617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6962 9.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4261 9.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5810 10.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8007 10.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1625 8.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4544 8.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7820 8.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8284 9.5747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9884 9.8149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1432 9.5935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7064 10.3501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5464 10.1101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1557 10.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0914 9.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5068 9.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6965 10.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3916 10.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6114 10.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6332 8.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7932 9.2226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9481 9.0012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5112 9.7578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3512 9.5178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9606 9.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8962 8.8438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3117 9.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0416 9.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1965 9.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4162 10.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 8.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0698 8.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3975 8.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4439 9.2568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6039 9.4970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7587 9.2756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3218 10.0322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1618 9.7922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7712 10.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7069 9.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1223 9.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 10.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0071 10.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2269 10.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0137 11.1933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4129 11.8276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5727 12.0673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5818 12.9409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1827 12.3067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9612 12.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3087 11.4491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1118 12.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0396 12.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0229 12.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5092 12.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1131 11.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2578 11.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7855 11.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4419 12.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8411 13.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0009 13.5907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0100 14.4643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6109 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3894 14.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7369 12.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5400 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2521 14.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4511 13.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9374 14.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8043 14.1534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9643 14.3936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1192 14.1722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6823 14.9288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5223 14.6888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1317 14.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0673 14.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 14.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6724 15.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3675 14.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5873 15.2203 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 89115 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 123129 1 0 0 0 0 140141 1 1 0 0 0 142141 1 1 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144149 1 0 0 0 0 140149 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 145150 1 0 0 0 0 136140 1 0 0 0 0 M END > LMISSP0505BO02 > > Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C96H170N4O48 > 2147.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261293 > - > - > Active (generated by computational methods) > - $$$$