Accord 08271317192D Structure generated using tools available at www.lipidmaps.org 175185 0 0 0 0 0 0 0 0999 V2000 24.4091 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8226 7.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2358 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7483 6.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0700 6.6142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4555 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4555 5.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8690 6.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1419 8.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4956 8.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2780 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6867 6.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0955 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5042 6.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9130 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6443 7.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0530 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4618 7.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8705 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2791 7.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6880 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0967 7.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5054 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9130 5.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5054 6.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8575 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2097 6.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5618 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9139 6.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2661 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2708 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6286 5.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9864 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3442 5.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7020 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0598 5.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4176 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7754 5.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 9.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7096 9.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9510 9.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5589 9.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3128 9.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9622 9.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8020 9.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3798 9.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1374 9.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0715 9.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3712 10.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6009 9.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8470 9.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0884 9.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6963 10.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4502 9.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0996 10.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9394 9.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5172 9.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6874 10.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2089 10.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5086 10.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7331 8.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9791 9.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2206 8.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8284 9.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5824 9.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2318 9.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0716 8.7326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6493 9.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4069 9.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3410 9.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6407 9.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9654 8.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2274 8.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6239 8.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8653 8.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1113 8.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3527 8.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9606 9.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7146 8.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3640 9.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2038 8.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7815 8.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9518 9.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4732 9.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7729 9.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9974 7.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2435 8.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4849 7.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0928 8.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8468 8.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4961 8.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3359 7.6694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9137 7.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6713 8.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6054 8.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9051 8.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2298 7.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4918 7.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8883 7.5040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1296 7.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3757 7.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6171 7.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 7.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9789 7.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6283 7.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4681 7.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0459 7.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2162 8.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7376 7.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0373 8.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3856 7.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 7.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4829 6.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7031 6.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3205 6.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 6.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0975 6.9064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0233 5.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4273 6.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6057 7.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9688 7.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1690 6.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 6.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9682 6.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2365 9.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6973 10.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9431 10.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9513 11.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4906 10.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2918 11.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6037 10.0079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5294 10.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4646 11.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2447 10.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7837 11.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4281 9.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5580 9.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1341 10.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7453 10.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9914 10.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2328 10.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8407 10.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5946 10.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2440 10.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0838 10.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6616 10.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8318 11.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3533 10.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6530 11.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0013 10.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2426 10.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6908 9.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0076 10.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 10.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3614 10.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4953 10.0923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1213 9.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8298 10.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3182 10.9212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5736 10.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4882 9.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8092 9.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1942 9.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6711 10.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6782 9.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0234 9.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4131 8.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5479 9.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2310 9.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 9.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 8.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6421 8.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2028 9.6650 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 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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 129128 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 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 138139 1 0 0 0 0 138140 2 0 0 0 0 87127 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 134141 1 0 0 0 0 152153 1 1 0 0 0 154153 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 152161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 163164 1 0 0 0 0 163165 2 0 0 0 0 148152 1 0 0 0 0 166167 1 1 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 170175 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 166175 1 0 0 0 0 147166 1 0 0 0 0 M END > LMISSP0504BL01 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C110H192N6O57 > 2509.23 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260900 > - > - > Active (generated by computational methods) > - $$$$