Accord 08271317192D 157165 0 0 0 0 0 0 0 0999 V2000 24.4694 6.9798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9426 7.2831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4156 6.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7739 6.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1648 6.4530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9964 7.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6130 6.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6130 5.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0862 6.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2294 7.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6489 7.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5554 6.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0244 6.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4934 6.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9624 6.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4315 6.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8844 7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3534 6.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8224 7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2914 6.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7603 7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2294 6.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6983 7.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1673 6.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4315 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1673 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5855 6.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0037 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4218 6.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8400 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2582 6.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8547 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2780 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7012 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1245 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5478 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9710 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3943 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8175 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2408 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6640 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0873 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5105 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9338 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3570 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7803 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2036 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6268 5.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0501 5.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5182 8.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8411 8.9172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1598 8.7387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8077 9.3486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4848 9.1551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1699 9.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9241 8.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6468 8.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4291 9.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1661 9.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5372 9.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9473 8.9447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2702 9.1384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5890 8.9599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2368 9.5697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9139 9.3763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5991 9.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3533 8.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0760 9.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2289 9.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5953 9.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9663 9.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3718 8.4673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6947 8.6609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0135 8.4824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6613 9.0923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3384 8.8989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0235 9.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7777 8.3556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5005 8.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2828 8.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0197 9.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3908 9.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6824 8.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9177 8.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3757 8.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8010 8.6885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1239 8.8821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4426 8.7036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0905 9.3135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7676 9.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4527 9.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2069 8.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9296 8.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0825 9.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4489 9.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8200 9.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2254 8.2111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5483 8.4047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8671 8.2262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5149 8.8361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1920 8.6426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8772 8.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6314 8.0993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 8.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1364 8.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8734 8.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2444 9.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5360 7.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7713 7.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2293 7.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6546 8.4323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9775 8.6259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2962 8.4474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9441 9.0573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6212 8.8638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3063 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0605 8.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7832 8.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9361 9.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3025 9.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6736 9.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1902 8.6590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6356 8.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3796 7.5690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6792 7.6425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2337 8.0766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9016 7.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9315 8.1127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9668 7.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 7.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4899 8.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9179 8.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9957 7.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2703 8.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8154 7.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 6.6047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5855 6.7983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9043 6.6198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5521 7.2297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2292 7.0362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9143 7.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6685 6.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3913 6.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5442 7.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9105 7.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 7.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6899 8.3205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6963 7.7090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1082 7.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5600 7.0218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6812 7.7088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3965 7.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0189 8.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9994 7.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7657 6.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2692 7.8766 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 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 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 130137 1 0 0 0 0 148149 1 1 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 148157 1 0 0 0 0 118148 1 0 0 0 0 M END > LMSP0505AW08 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C104H184N4O47 > 2241.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261155 > - > - > Active (generated by computational methods) > - $$$$