Accord 08271317192D 165174 0 0 0 0 0 0 0 0999 V2000 24.5406 6.7118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0845 6.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6283 6.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8043 6.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2769 6.2557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 5.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 5.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3430 6.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3328 7.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8302 7.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8835 5.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4238 6.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9640 5.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5043 6.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0446 5.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1683 6.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7086 6.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2488 6.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7891 6.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3293 6.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8697 6.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4098 6.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9501 6.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0446 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9501 6.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4463 5.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9426 6.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4388 5.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9351 6.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4314 5.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5452 5.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0459 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5466 5.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0472 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5479 5.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0485 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5492 5.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0498 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5505 5.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0512 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5518 5.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0525 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5829 8.2215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9966 8.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4068 8.2346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1019 8.7627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6881 8.5952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4155 8.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0685 8.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9626 8.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7742 8.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2780 8.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7335 8.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3570 8.4130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7708 8.5807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1810 8.4261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8761 8.9542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4623 8.7867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1897 8.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8427 8.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7368 8.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8692 9.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0522 8.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5077 9.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1271 7.9997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5409 8.1673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9511 8.0128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6462 8.5408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2324 8.3733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9598 8.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6128 7.9029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5069 8.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3185 8.3516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8223 8.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2778 8.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5303 7.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7340 7.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2647 7.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9013 8.1912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3151 8.3588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7252 8.2043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4204 8.7323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0066 8.5648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7340 8.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3870 8.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2811 8.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4135 9.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5965 8.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0520 8.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6714 7.7778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0852 7.9455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4954 7.7909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1905 8.3190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7767 8.1515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5041 8.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1571 7.6811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0512 7.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8627 8.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3666 8.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8221 8.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0745 7.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2782 7.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8090 7.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4456 7.9693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8594 8.1370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2695 7.9824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9646 8.5105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5509 8.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2783 8.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9312 7.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8254 8.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9578 8.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1408 8.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5962 8.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2157 7.5560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6295 7.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0397 7.5691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7348 8.0971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3210 7.9296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0484 8.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7014 7.4592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5955 7.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4070 7.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9109 8.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3664 8.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6188 7.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8225 7.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3533 7.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9899 7.7475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4037 7.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8138 7.7606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5089 8.2886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0952 8.1211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8225 8.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4755 7.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 7.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 8.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6851 8.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1405 8.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8563 7.9438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3761 7.5681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1544 7.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5480 7.0637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0281 7.4396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7405 7.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6322 7.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 6.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3336 7.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2499 8.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 7.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6878 7.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 7.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5317 7.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1547 7.6507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1602 7.1213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6510 6.9760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1764 6.5263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2813 7.1211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0349 6.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4395 7.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5568 6.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3545 6.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7905 7.2664 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 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 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 125131 1 0 0 0 0 142143 1 1 0 0 0 144143 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 142151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 153154 1 0 0 0 0 153155 2 0 0 0 0 138142 1 0 0 0 0 156157 1 1 0 0 0 157158 1 1 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 160165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 156165 1 0 0 0 0 137156 1 0 0 0 0 M END > LMISSP0505CT03 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C106H187N5O52 > 2362.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261534 > - > - > Active (generated by computational methods) > - $$$$