Accord 08271317192D 179189 0 0 0 0 0 0 0 0999 V2000 24.5422 6.7068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0877 6.9684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6330 6.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8049 6.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2794 6.2522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3487 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3351 7.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8343 7.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8908 5.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4327 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9745 5.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5164 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0583 5.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1747 6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7165 6.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2583 6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8002 6.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3420 6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8839 6.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4257 6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9676 6.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0583 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9676 6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4655 5.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9636 6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4615 5.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9595 6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4575 5.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5607 5.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0630 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5654 5.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0678 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5702 5.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0726 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5750 5.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0773 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5797 5.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0821 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5845 5.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0869 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5893 5.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0916 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0001 8.3783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4123 8.2243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1085 8.7505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6927 8.5836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4210 8.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0717 8.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9697 8.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7819 8.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2805 8.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7379 8.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3662 8.4021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7820 8.5691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1942 8.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8903 8.9413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4745 8.7744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2029 8.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8536 8.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7516 8.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8835 9.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0624 8.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5198 9.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1440 7.9902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5598 8.1572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9720 8.0032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6682 8.5294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2524 8.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9807 8.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6314 7.8937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5294 8.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3416 8.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8402 8.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2976 8.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5492 7.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7522 7.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2845 7.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9259 8.1810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3417 8.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7539 8.1940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4500 8.7202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0342 8.5533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7626 8.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4133 8.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3112 8.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4432 9.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6221 8.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0794 8.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7037 7.7691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1195 7.9361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5317 7.7821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2279 8.3083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8121 8.1414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5404 8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1911 7.6726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0891 7.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9012 8.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3999 8.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8573 8.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1089 7.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3119 7.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8442 7.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4856 7.9599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9013 8.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3136 7.9730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0097 8.4992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5939 8.3322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3223 8.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9730 7.8635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8709 8.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0029 8.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1818 8.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6391 8.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2634 7.5480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6792 7.7150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0914 7.5610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7875 8.0872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3718 7.9203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1001 8.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7508 7.4516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6488 7.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4609 7.8987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9596 8.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4170 8.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8715 7.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4039 7.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 7.7388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4610 7.9059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8732 7.7519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5694 8.2781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1536 8.1112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8819 8.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 7.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4306 7.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5626 8.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7415 8.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1988 8.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 7.9345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4405 7.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2196 6.9940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6153 7.0574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0937 7.4320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8071 7.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 7.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8634 6.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3343 7.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 7.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 7.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2234 9.0856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8056 9.5268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2213 9.6934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2276 10.3010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6455 9.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4915 10.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7332 9.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9007 10.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8505 10.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2298 9.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8726 10.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5971 9.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6978 8.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3693 9.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4348 10.1451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0170 10.5863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4327 10.7529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4390 11.3605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8569 10.9195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7029 11.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9446 10.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1121 11.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6073 11.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4412 10.7527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0840 11.2146 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 127133 1 0 0 0 0 144145 1 1 0 0 0 146145 1 1 0 0 0 147146 1 1 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 148153 1 0 0 0 0 144153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 149154 1 0 0 0 0 140144 1 0 0 0 0 155156 1 1 0 0 0 157156 1 1 0 0 0 158157 1 1 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 159164 1 0 0 0 0 155164 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 166167 1 0 0 0 0 166168 2 0 0 0 0 118155 1 0 0 0 0 169170 1 1 0 0 0 171170 1 1 0 0 0 172171 1 1 0 0 0 172173 1 0 0 0 0 173174 1 0 0 0 0 173178 1 0 0 0 0 169178 1 0 0 0 0 170175 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 174179 1 0 0 0 0 163169 1 0 0 0 0 M END > LMSP0505BX04 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C114H201N5O58 > 2568.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261367 > - > - > Active (generated by computational methods) > - $$$$