Accord 08271317192D 168177 0 0 0 0 0 0 0 0999 V2000 24.5902 6.5281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1834 6.7622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7765 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 6.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3550 6.1212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9972 6.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5220 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4049 7.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9566 7.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1122 5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7021 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2920 5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8820 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4720 5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3662 6.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9562 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5461 6.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1360 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7259 6.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3159 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9058 6.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4957 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4720 5.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4957 6.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0464 5.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5971 6.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1477 5.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6984 6.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2491 5.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0266 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5812 5.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1358 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6904 5.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2450 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7996 5.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3542 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9088 5.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4634 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0180 5.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5726 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1272 5.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6818 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2365 5.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6279 7.8747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1050 8.0242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5789 7.8863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3070 8.3573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8299 8.2079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5867 8.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1691 7.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1828 7.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0147 8.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3560 8.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8703 8.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6426 8.0455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1197 8.1950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5936 8.0572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3216 8.5281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8445 8.3787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6014 8.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1838 7.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1974 8.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3155 8.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3707 8.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8850 8.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6536 7.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1307 7.8263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6046 7.6885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3327 8.1594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8556 8.0100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6124 8.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1948 7.5905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2085 7.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0404 7.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3817 8.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8960 8.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1212 7.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3029 7.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8844 7.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6683 7.8476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1454 7.9971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6193 7.8593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3473 8.3302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8702 8.1809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6271 8.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2095 7.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2231 7.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3412 8.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3964 8.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9107 8.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6793 7.4789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1564 7.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6303 7.4906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3584 7.9616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8813 7.8122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6381 7.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2205 7.3926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2342 7.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0661 7.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4074 7.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9217 8.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1469 7.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3286 7.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9101 7.2778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6940 7.6497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1711 7.7992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6450 7.6614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3730 8.1324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8959 7.9830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6528 8.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2352 7.5634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2488 7.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3669 8.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4221 8.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9364 8.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7050 7.2810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1821 7.4305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6560 7.2927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3841 7.7637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9070 7.6143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6638 7.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2462 7.1947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2599 7.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 7.5949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4331 7.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9474 7.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1726 7.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3543 6.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9358 7.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7197 7.4518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1968 7.6013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6707 7.4635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3987 7.9345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9216 7.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6785 7.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2609 7.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2745 7.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3926 8.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4478 7.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9621 8.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7307 7.0831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2078 7.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6817 7.0948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4098 7.5658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9327 7.4164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6895 7.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2719 6.9968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2856 7.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 7.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4588 7.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 7.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1983 6.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 6.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9615 6.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 7.2539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2225 7.4035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6964 7.2656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4244 7.7366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9473 7.5872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7042 7.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2866 7.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3002 7.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 8.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4735 7.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 7.9181 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 150155 1 0 0 0 0 155156 1 0 0 0 0 155157 2 0 0 0 0 140144 1 0 0 0 0 158159 1 1 0 0 0 160159 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 158167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 163168 1 0 0 0 0 152158 1 0 0 0 0 M END > LMISSP0505EN04 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C108H191N5O53 > 2406.24 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261831 > - > - > Active (generated by computational methods) > - $$$$