Accord 08271317192D 157166 0 0 0 0 0 0 0 0999 V2000 24.4815 6.9323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9669 7.2286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4520 6.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7791 6.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1840 6.4175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6448 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6448 5.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1301 6.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2471 7.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6799 7.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6116 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0928 6.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5740 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0552 6.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5364 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9330 7.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4142 6.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8954 7.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3766 6.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8577 7.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3390 6.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8201 7.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3013 6.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5364 5.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3013 6.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7328 6.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1644 6.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5959 6.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0274 6.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4590 6.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9729 5.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4094 5.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8459 5.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2824 5.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7189 5.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1554 5.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5920 5.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0285 5.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5293 8.6360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8677 8.8251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2021 8.6507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8580 9.2466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5196 9.0576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2120 9.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9488 8.5267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7009 8.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4882 9.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1853 9.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5708 9.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0175 8.8521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3559 9.0412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6903 8.8668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3463 9.4627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0078 9.2737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7002 9.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4370 8.7428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1891 9.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3385 9.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6735 9.4480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0590 9.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5011 8.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8396 8.5748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1740 8.4004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8299 8.9962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4914 8.8072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1838 8.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9207 8.2764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6727 8.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4600 8.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1571 8.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5426 9.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8275 8.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0574 7.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5279 8.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9893 8.6017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3278 8.7909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6622 8.6165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3181 9.2123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9796 9.0233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6720 9.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4089 8.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1609 8.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3103 9.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6453 9.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0308 9.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4730 8.1352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8114 8.3244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1458 8.1500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8017 8.7459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4633 8.5569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1556 8.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8925 8.0260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6446 8.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4319 8.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1290 8.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5145 8.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7994 7.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0292 7.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4997 7.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9612 8.3513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2996 8.5405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6340 8.3661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2899 8.9620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9515 8.7730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6439 8.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3807 8.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1328 8.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2822 9.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6172 8.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0027 9.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5534 8.5729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0115 8.1489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7614 7.5079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0771 7.5797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6189 8.0039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2943 7.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3006 8.0391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3581 7.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8351 7.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 8.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3103 8.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3633 7.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6316 7.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1872 7.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6701 6.5658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0085 6.7549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3429 6.5805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9989 7.1764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6604 6.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3528 7.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0896 6.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 6.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 7.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3261 7.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7116 7.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7275 6.4566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4287 5.9391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8508 6.0906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1315 5.9263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5750 6.4438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1911 6.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 6.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 5.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1315 5.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 6.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0186 8.2421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0248 7.6447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4503 7.4808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9147 6.9733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0331 7.6445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7550 7.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3401 7.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3440 7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1157 6.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6076 7.8084 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 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 96102 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 120127 1 0 0 0 0 138139 1 1 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 138147 1 0 0 0 0 133138 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 108148 1 0 0 0 0 M END > LMSP0505AX01 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C100H176N4O51 > 2249.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261156 > - > - > Active (generated by computational methods) > - $$$$