Accord 08271317192D 178188 0 0 0 0 0 0 0 0999 V2000 24.5902 6.5279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1834 6.7621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7764 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 6.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3550 6.1210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9972 6.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5220 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4049 7.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9566 7.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1122 5.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7021 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2920 5.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8819 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4719 5.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3662 6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9561 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5460 6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1359 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7258 6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3158 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9057 6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4956 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4719 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4956 6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0463 5.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5970 6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1476 5.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6983 6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2490 5.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0265 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5811 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1357 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6903 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2449 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7995 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3541 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9087 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4633 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0179 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5725 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1270 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6816 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2362 5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6279 7.8745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1050 8.0241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5789 7.8862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3069 8.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8299 8.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5867 8.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1691 7.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1827 7.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0146 8.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3560 8.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8703 8.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6425 8.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1196 8.1949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5935 8.0570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3216 8.5280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8445 8.3786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6013 8.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1837 7.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1973 8.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3154 8.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3706 8.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8849 8.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6535 7.6767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1306 7.8262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6045 7.6883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3326 8.1593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8555 8.0099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6123 8.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1947 7.5903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2083 7.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0402 7.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3816 8.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8959 8.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1211 7.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3028 7.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8843 7.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6681 7.8475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1452 7.9970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6191 7.8591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3472 8.3301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8701 8.1807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6269 8.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2094 7.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2230 7.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3410 8.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3962 8.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9105 8.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6791 7.4788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1562 7.6283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6301 7.4904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3582 7.9614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8811 7.8120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6379 7.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2204 7.3924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2340 7.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0658 7.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4072 7.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9215 8.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1467 7.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3284 7.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9099 7.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6938 7.6496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1709 7.7991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6447 7.6613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3728 8.1322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8957 7.9828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6525 8.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2350 7.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2486 7.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3667 8.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4219 8.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9362 8.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7048 7.2809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1819 7.4304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6557 7.2926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3838 7.7635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9067 7.6141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6635 7.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2460 7.1946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2596 7.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0914 7.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4329 7.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9472 7.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1724 7.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3540 6.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9355 7.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7194 7.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1965 7.6012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6704 7.4634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3984 7.9344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9213 7.7850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6781 7.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2606 7.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2742 7.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3923 8.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4475 7.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9618 8.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7304 7.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2075 7.2325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6814 7.0947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4094 7.5657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9323 7.4163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6891 7.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2716 6.9967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2852 7.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1171 7.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4585 7.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9728 7.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1980 6.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 6.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9611 6.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 7.2538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2221 7.4033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6960 7.2655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4240 7.7365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9469 7.5871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7037 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2862 7.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 7.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4179 8.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4731 7.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9874 7.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8016 7.3415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8066 6.8692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3524 6.7397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9291 6.3386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0226 6.8691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8028 6.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0557 7.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2684 6.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0879 6.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4768 6.9987 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 169170 1 1 0 0 0 170171 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 170175 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 169178 1 0 0 0 0 126169 1 0 0 0 0 M END > LMSP0505CD04 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C114H201N5O57 > 2552.30 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261415 > - > - > Active (generated by computational methods) > - $$$$