Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.3416 7.4536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6879 7.8298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0340 7.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7195 6.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9636 6.7998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2789 6.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2789 5.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6252 6.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0437 8.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3235 8.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9667 6.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3078 6.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6488 6.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9899 6.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3311 6.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3748 7.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7159 7.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0570 7.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3981 7.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7391 7.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0804 7.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4214 7.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7625 7.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3311 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7625 6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0405 6.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3186 6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5966 6.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8746 6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1527 6.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6155 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8998 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1841 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4685 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7528 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0372 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3215 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6059 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8902 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1745 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4589 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7432 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3119 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5963 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8806 5.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4022 9.6173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5620 9.8575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7166 9.6360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2797 10.3928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1198 10.1528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7291 10.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6650 9.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0801 9.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8099 10.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9653 10.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1849 10.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2121 9.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3719 10.1320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5266 9.9105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0896 10.6673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9298 10.4272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5391 10.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4749 9.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8900 10.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0798 11.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7752 10.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9948 10.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0162 9.2993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1761 9.5396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3307 9.3181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8937 10.0749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7339 9.8348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3432 10.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2791 9.1606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6942 9.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4240 9.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5794 10.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7990 10.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1608 8.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4527 8.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7802 8.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8262 9.5738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9860 9.8140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1407 9.5925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7037 10.3493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5439 10.1093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1532 10.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0890 9.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5041 9.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 10.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3893 10.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6089 10.6409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6303 8.9814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7901 9.2216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9448 9.0001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5078 9.7569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3480 9.5168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9573 9.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8932 8.8427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3082 9.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0381 9.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1934 9.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4130 10.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7749 8.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0668 8.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 8.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4403 9.2558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6001 9.4961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7547 9.2746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3178 10.0314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1580 9.7913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7672 10.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7031 9.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 9.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3079 10.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0034 10.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 10.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2432 9.1171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8637 8.4600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1297 8.6523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2162 8.4437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7794 9.1009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2919 8.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4165 8.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 8.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2162 7.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5136 8.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0111 11.1927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4102 11.8272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5698 12.0669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5789 12.9407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1799 12.3064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9584 12.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3060 11.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1087 12.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0365 12.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0203 12.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 12.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1103 11.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2550 11.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7826 11.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4387 12.7165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8378 13.3509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9975 13.5906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0066 14.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6075 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3860 14.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7336 12.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5364 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2486 14.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4479 13.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9341 14.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8006 14.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9604 14.3937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1150 14.1723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6781 14.9290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5183 14.6890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1276 14.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 14.0148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4785 14.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6682 15.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3637 14.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 15.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9451 13.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2371 13.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5645 13.8304 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 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 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 92 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 104110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 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 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 95131 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 139145 1 0 0 0 0 156157 1 1 0 0 0 158157 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 156165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 167168 1 0 0 0 0 167169 2 0 0 0 0 152156 1 0 0 0 0 M END > LMISSP0505EG05 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C110H195N5O52 > 2418.28 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261784 > - > - > Active (generated by computational methods) > - $$$$