Accord 08271317192D 172181 0 0 0 0 0 0 0 0999 V2000 24.5902 6.5283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1834 6.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7765 6.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 6.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3550 6.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9972 6.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9289 5.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9289 5.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5221 6.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4049 7.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9566 7.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1123 5.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7022 6.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2921 5.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8821 6.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4721 5.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3663 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9562 6.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5462 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1361 6.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7260 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3160 6.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9059 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4959 6.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4721 5.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4959 6.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0465 5.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5973 6.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1480 5.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6986 6.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2494 5.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0267 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5813 5.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1360 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6906 5.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2452 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7998 5.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3545 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9091 5.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4637 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0183 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5729 5.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1276 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6822 5.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2368 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7914 5.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3461 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9007 5.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4553 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6279 7.8749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1051 8.0244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5790 7.8866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3070 8.3575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8299 8.2081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5868 8.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1692 7.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1828 7.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0147 8.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3561 8.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8704 8.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6427 8.0457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1198 8.1952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5937 8.0574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3218 8.5283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8447 8.3789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6015 8.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1839 7.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1976 8.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3156 8.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3708 8.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8851 8.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6538 7.6770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1309 7.8265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6048 7.6887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3329 8.1597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8558 8.0103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6126 8.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1950 7.5907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2087 7.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0406 7.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3819 8.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8962 8.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1214 7.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3031 7.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8846 7.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6685 7.8478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1456 7.9973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6196 7.8595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3476 8.3305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8705 8.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6273 8.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2098 7.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2234 7.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3415 8.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3966 8.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9110 8.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6796 7.4791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1568 7.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6307 7.4908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3587 7.9618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8816 7.8124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6385 7.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2209 7.3928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2345 7.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0664 7.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4078 7.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9221 8.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1473 7.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3289 7.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9104 7.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6944 7.6499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1715 7.7995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6454 7.6616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3735 8.1326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8963 7.9832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6532 8.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2356 7.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2493 7.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3673 8.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4225 8.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9368 8.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7055 7.2813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1826 7.4308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6565 7.2929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3846 7.7639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9075 7.6145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6643 7.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2467 7.1950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2604 7.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0923 7.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4336 7.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9479 7.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1731 7.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3548 6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9363 7.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7202 7.4521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1973 7.6016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6713 7.4637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3993 7.9347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9222 7.7853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6790 7.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2614 7.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2751 7.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 8.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4483 7.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9627 8.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7313 7.0834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2085 7.2329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6824 7.0951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4104 7.5660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9333 7.4166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6902 7.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2726 6.9971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2862 7.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 7.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4595 7.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9738 7.7475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1990 6.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3806 6.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9621 6.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7461 7.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2232 7.4037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6971 7.2659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4252 7.7368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9480 7.5874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7049 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2873 7.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 7.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 8.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 7.7252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 7.9183 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 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 148149 1 1 0 0 0 150149 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 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 159160 1 0 0 0 0 159161 2 0 0 0 0 144148 1 0 0 0 0 162163 1 1 0 0 0 164163 1 1 0 0 0 165164 1 1 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 166171 1 0 0 0 0 162171 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 167172 1 0 0 0 0 156162 1 0 0 0 0 M END > LMISSP0505EN08 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C112H197N5O53 > 2460.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261835 > - > - > Active (generated by computational methods) > - $$$$