Accord 08271317182D 152160 0 0 0 0 0 0 0 0999 V2000 24.4433 9.5392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8910 9.8571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3387 9.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7625 8.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1240 8.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 9.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5455 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5455 8.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9933 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1917 10.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5832 10.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4370 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8804 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3237 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7671 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2105 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6538 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0972 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5406 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9839 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4273 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8706 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3141 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7574 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2008 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6441 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0875 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5308 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9742 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7818 9.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2251 9.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6685 9.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1119 9.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5552 9.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9987 9.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4420 9.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8854 9.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3287 9.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7721 9.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2155 9.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6588 9.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1022 9.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5455 9.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4945 11.3687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7841 11.5718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0694 11.3846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6999 12.0244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4103 11.8215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0799 12.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8712 11.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5311 11.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3027 11.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1251 12.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4653 12.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7972 11.6008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0868 11.8039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3720 11.6166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0025 12.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7129 12.0535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3826 12.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1739 11.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8338 11.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9942 12.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4278 12.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7680 12.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6054 13.2171 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.8950 13.4202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1801 13.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8107 13.8729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5211 13.6699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1908 13.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9820 13.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6419 13.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8024 14.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2360 13.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5761 14.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0198 13.4550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4379 12.9997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1692 12.3113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4344 12.3885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0162 12.8439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6677 12.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7483 12.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7362 11.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0927 12.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2849 13.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6848 13.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1140 12.0384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5321 11.5831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2634 10.8948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5286 10.9719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1104 11.4274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7619 11.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8425 11.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8304 10.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1870 11.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3792 12.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7790 11.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2082 10.6219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6262 10.1665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3577 9.4782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6228 9.5554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2046 10.0109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8561 9.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9367 10.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9245 9.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2812 9.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4734 10.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8732 10.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3024 9.2054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7204 8.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4518 8.0617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7170 8.1388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2988 8.5943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9503 8.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0309 8.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0187 7.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3754 8.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5676 9.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9675 8.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3966 7.7888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8147 7.3335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5460 6.6451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8112 6.7223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3930 7.1777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0445 7.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 7.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 6.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4696 6.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6617 7.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0616 7.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3741 5.6335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6637 5.8366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9490 5.6493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5795 6.2892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2899 6.0862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9595 6.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7508 5.5161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4108 5.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5712 6.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0048 6.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3449 6.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6508 5.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8977 5.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 5.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9742 8.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4632 7.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4632 7.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9804 6.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4392 7.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9790 7.0153 0.0000 C 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 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 74 78 1 0 0 0 0 89 90 1 1 0 0 0 91 90 1 1 0 0 0 92 91 1 1 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 98 1 0 0 0 0 89 98 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 94 99 1 0 0 0 0 85 89 1 0 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 103102 1 1 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104109 1 0 0 0 0 100109 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 105110 1 0 0 0 0 96100 1 0 0 0 0 111112 1 1 0 0 0 113112 1 1 0 0 0 114113 1 1 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 115120 1 0 0 0 0 111120 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 116121 1 0 0 0 0 107111 1 0 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 125124 1 1 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 126131 1 0 0 0 0 122131 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 127132 1 0 0 0 0 118122 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 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 129133 1 0 0 0 0 29147 1 0 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 M END > LMISSP0502AZ08 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C100H178N2O48 > 2175.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260371 > - > - > Active (generated by computational methods) > - $$$$