Accord 08271317192D 148155 0 0 0 0 0 0 0 0999 V2000 24.1332 7.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3734 8.2885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6135 7.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5725 7.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6940 7.0912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8933 8.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8980 6.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8980 5.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1383 7.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7871 9.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9499 9.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3728 6.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6069 7.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8411 6.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0752 7.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3094 6.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8473 8.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0814 7.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3155 8.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5496 7.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7836 8.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0180 7.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2520 8.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4861 7.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3094 5.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4861 7.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6469 6.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8078 7.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9686 6.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1294 7.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2903 6.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4776 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6457 5.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8139 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9821 5.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1502 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3184 5.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4865 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6547 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8229 5.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9910 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1592 5.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3274 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4955 5.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6637 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8318 5.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8986 10.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2037 10.3661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2271 10.6453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2445 10.3879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7366 11.2675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7132 10.9885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2591 11.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3468 10.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5046 10.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1906 10.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6959 11.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7888 11.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4957 10.6851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5192 10.9643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5366 10.7069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0287 11.5865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0053 11.3075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5511 11.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6389 10.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7967 10.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0172 12.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9879 11.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0808 11.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9414 11.0121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1415 10.3862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7722 9.4399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7620 9.5460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5618 10.1721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0828 9.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5682 10.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1768 8.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2924 9.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9313 11.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1063 10.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1612 8.0492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1846 8.3284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2021 8.0710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6942 8.9506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6707 8.6716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2166 8.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3044 7.8880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4622 8.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6827 9.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6534 8.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7463 9.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1669 7.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5062 7.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7245 7.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6069 8.3762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8069 7.7503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4377 6.8041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4275 6.9101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2273 7.5363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7482 7.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2337 7.5882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8423 6.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0703 7.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5968 8.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7718 7.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3263 7.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 7.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0663 6.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3860 12.5668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6875 13.3043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7107 13.5829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7213 14.5986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4198 13.8613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1624 14.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5664 12.8643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1748 14.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0909 14.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3966 13.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7995 14.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3389 12.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5072 12.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9581 12.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3960 14.3380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6976 15.0754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7208 15.3540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7314 16.3697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4299 15.6324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1725 16.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5765 14.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1849 15.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0127 16.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4067 15.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8095 16.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3178 16.6007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6194 17.3382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6426 17.6168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6532 18.6325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3517 17.8952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0943 18.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4983 16.8981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1067 18.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8638 19.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3285 17.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 18.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2708 16.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4391 16.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8900 17.0088 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 2 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 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 89 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 121122 1 0 0 0 0 121123 2 0 0 0 0 70110 1 0 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 128133 1 0 0 0 0 124133 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 129134 1 0 0 0 0 118124 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 146147 1 0 0 0 0 146148 2 0 0 0 0 132135 1 0 0 0 0 M END > LMISSP0506AH07 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C98H173N5O43 > 2108.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261874 > - > - > Active (generated by computational methods) > - $$$$