Accord 08271317192D 176186 0 0 0 0 0 0 0 0999 V2000 24.5902 6.5277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1834 6.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7764 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 6.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3550 6.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9972 6.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5220 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4048 7.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9566 7.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1121 5.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7020 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2919 5.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8818 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4718 5.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3662 6.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9561 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5460 6.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1359 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7257 6.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3157 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9056 6.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4955 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4718 5.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4955 6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0461 5.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5968 6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1475 5.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6981 6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2488 5.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0264 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5810 5.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1355 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6901 5.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2447 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7993 5.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3539 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9085 5.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4631 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0177 5.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5722 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1268 5.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6279 7.8744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1050 8.0239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5789 7.8861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3069 8.3571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8298 8.2077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5867 8.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1691 7.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1827 7.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0146 8.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3560 8.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8703 8.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6425 8.0452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1196 8.1947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5934 8.0569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3215 8.5279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8444 8.3785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6012 8.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1837 7.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1972 8.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3153 8.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3706 8.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8849 8.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6534 7.6765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1305 7.8260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6044 7.6882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3324 8.1592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8553 8.0098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6122 8.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1946 7.5902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2082 7.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0401 7.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3815 8.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8958 8.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1210 7.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3027 7.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8841 7.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6680 7.8473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1451 7.9968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6189 7.8590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3470 8.3300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8699 8.1806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6267 8.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2092 7.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2228 7.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3409 8.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3961 8.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9104 8.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6789 7.4786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1560 7.6281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6299 7.4903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3579 7.9613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8809 7.8119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6377 7.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2201 7.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2337 7.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0656 7.7925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4070 7.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9213 8.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1465 7.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3282 7.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9096 7.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6935 7.6494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1706 7.7989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6445 7.6611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3725 8.1321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8954 7.9827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6522 8.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2347 7.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2483 7.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3664 8.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4216 8.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9359 8.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7045 7.2807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1815 7.4302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6554 7.2924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3834 7.7634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9064 7.6140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6632 7.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2457 7.1944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2592 7.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0911 7.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4326 7.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9468 7.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1720 7.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3537 6.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9352 7.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7190 7.4515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1961 7.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6700 7.4632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3980 7.9342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9209 7.7848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6778 7.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2602 7.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 7.5694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3919 8.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4471 7.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9614 8.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7300 7.0828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2071 7.2323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6809 7.0945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4090 7.5655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9319 7.4161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6887 7.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2712 6.9965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2847 7.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1166 7.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4581 7.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9724 7.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1976 6.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 6.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9607 6.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7445 7.2536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2216 7.4032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6955 7.2653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4235 7.7363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9464 7.5869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7033 7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2857 7.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 7.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4174 8.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4726 7.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9869 7.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8013 7.3413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8062 6.8691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3520 6.7395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9287 6.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0223 6.8689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8024 6.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 7.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2680 6.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0876 6.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4764 6.9985 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 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 125131 1 0 0 0 0 142143 1 1 0 0 0 144143 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 142151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 153154 1 0 0 0 0 153155 2 0 0 0 0 138142 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 150156 1 0 0 0 0 167168 1 1 0 0 0 168169 1 1 0 0 0 170169 1 1 0 0 0 170171 1 0 0 0 0 171172 1 0 0 0 0 171176 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 170175 1 0 0 0 0 167176 1 0 0 0 0 124167 1 0 0 0 0 M END > LMSP0505CD03 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C112H197N5O57 > 2524.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261414 > - > - > Active (generated by computational methods) > - $$$$