Accord 08271317192D 175185 0 0 0 0 0 0 0 0999 V2000 24.5250 7.0630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0535 7.3344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5819 7.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7976 6.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2524 6.5914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9967 7.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7585 6.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7585 5.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2870 6.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3102 7.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7907 7.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8119 6.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3366 6.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8613 6.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3860 6.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9108 6.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1064 7.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6311 7.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1558 7.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6805 7.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2051 7.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7299 7.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2546 7.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7793 7.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9108 5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7793 6.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2585 6.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7377 6.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2169 6.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6961 6.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1754 6.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3946 5.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8783 5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3621 5.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8459 5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3296 5.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8134 5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2972 5.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7809 5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2647 5.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7485 5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2322 5.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7160 5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5688 8.6237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9627 8.7970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3529 8.6373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0377 9.1832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6438 9.0100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3619 9.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0370 8.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8937 8.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6989 8.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2536 9.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6907 9.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2676 8.8217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6616 8.9950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0518 8.8352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7366 9.3811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3426 9.2080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0608 9.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7359 8.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5926 8.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7295 9.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9525 9.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3895 9.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9623 8.3944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3563 8.5677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7465 8.4079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4313 8.9538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0373 8.7806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7555 8.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4306 8.2943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2873 8.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0924 8.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6472 8.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0842 9.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3452 8.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5558 8.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0707 8.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6612 8.5924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0551 8.7657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4454 8.6059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1301 9.1518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7362 8.9786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4544 9.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1294 8.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9862 8.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1230 9.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3461 9.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7831 9.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3559 8.1650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7498 8.3383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1400 8.1786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8248 8.7245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4309 8.5513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1491 8.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8241 8.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6809 8.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4860 8.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0408 8.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4778 8.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7388 7.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9494 7.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4643 7.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0548 8.3630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4487 8.5363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8389 8.3765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5237 8.9224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1298 8.7493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8479 8.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5230 8.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3797 8.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5166 9.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7396 8.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1767 9.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8490 8.5660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3525 8.1775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1234 7.5903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4965 7.6561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9928 8.0447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6955 7.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6174 8.0769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7539 7.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2748 7.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2221 8.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7101 8.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6748 7.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9206 8.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5135 7.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1236 6.7272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5175 6.9005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9078 6.7407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5925 7.2866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1986 7.1135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9168 7.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5918 6.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4486 6.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5854 7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8085 7.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2455 7.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9178 6.9301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4214 6.5417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1922 5.9545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5653 6.0203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0616 6.4089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7643 6.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6862 6.4411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8227 5.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3436 6.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2909 6.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 6.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7437 6.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9895 6.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5823 6.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2601 6.6271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2658 6.0798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7394 5.9297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2488 5.4647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3572 6.0796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1025 5.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5546 6.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6420 5.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4329 5.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8836 6.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1913 8.2630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1970 7.7156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6706 7.5655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1800 7.1005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2884 7.7154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0336 7.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4858 8.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5732 7.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3641 6.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8148 7.8656 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 124131 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 157158 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 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 156165 1 0 0 0 0 137156 1 0 0 0 0 166167 1 1 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 170175 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 166175 1 0 0 0 0 112166 1 0 0 0 0 M END > LMSP0505AY03 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C112H197N5O56 > 2508.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261166 > - > - > Active (generated by computational methods) > - $$$$