Accord 08271317192D 179189 0 0 0 0 0 0 0 0999 V2000 24.4092 7.0866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8227 7.4242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2361 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0702 6.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9959 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 5.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8693 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1420 7.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4958 7.9902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2785 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6873 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0962 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5051 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9139 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3227 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7316 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1405 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5493 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9581 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3670 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7759 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1847 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5935 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0024 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4113 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8201 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2290 6.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6446 7.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0536 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4624 7.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8712 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2800 7.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6890 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0978 7.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5066 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9155 7.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3244 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7332 7.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1420 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5509 7.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9598 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 9.0282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7094 9.2438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9508 9.0450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5586 9.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3127 9.5088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9620 9.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8019 8.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3795 9.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1371 9.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0714 9.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3710 9.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6006 9.2745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8465 9.4901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0879 9.2913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6957 9.9705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4498 9.7551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0991 9.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9390 9.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5166 9.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6869 10.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2085 9.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5081 10.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7325 8.7429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9784 8.9585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2198 8.7597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8276 9.4389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5816 9.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2310 9.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0709 8.6184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6485 8.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4061 9.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3404 9.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6400 9.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9647 8.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2267 8.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6232 8.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8643 8.2112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1103 8.4268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3517 8.2280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9595 8.9072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7135 8.6918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3629 8.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2028 8.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7804 8.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9507 9.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4723 8.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7719 9.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9962 7.6795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2422 7.8951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4836 7.6964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0914 8.3755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8454 8.1601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4948 8.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3347 7.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9123 7.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6699 8.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6042 8.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9038 8.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2285 7.3896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4905 7.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8870 7.3896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1281 7.1479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3741 7.3635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6155 7.1647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2233 7.8439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9773 7.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6267 7.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4666 7.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0442 7.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2145 8.2856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7361 7.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 8.1055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 7.4004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7662 6.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4811 6.1865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7011 6.2684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3186 6.7518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9488 6.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 6.7920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0214 5.8143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4254 6.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6039 7.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 7.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1672 6.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 6.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9664 6.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0538 7.0234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0609 6.3424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4060 6.1556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7956 5.5772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9305 6.3422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6136 6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4202 6.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2849 5.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0247 5.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5854 6.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2354 9.6641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6961 10.2335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9419 10.4486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9501 11.2328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4894 10.6635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2907 11.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6026 9.8937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5281 10.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4633 11.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2436 10.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7825 11.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4269 9.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5569 9.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1329 9.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7440 10.1696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9900 10.3852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2313 10.1864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8392 10.8656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5932 10.6502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2425 10.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0824 10.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 10.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8303 11.3074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3519 10.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6515 11.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 10.4221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2410 10.2238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6891 9.6666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0058 10.0516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7645 10.2499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3597 10.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4936 9.9782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1195 9.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 10.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3165 10.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 10.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4865 9.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8075 9.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1925 9.6078 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 30 2 0 0 0 0 30 31 1 0 0 0 0 31 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 74 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 99106 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 132133 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 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 112131 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 152153 1 0 0 0 0 152154 2 0 0 0 0 91141 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 148155 1 0 0 0 0 166167 1 1 0 0 0 168167 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 166175 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 177178 1 0 0 0 0 177179 2 0 0 0 0 162166 1 0 0 0 0 M END > LMISSP0504BN03 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C114H200N6O57 > 2565.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260918 > - > - > Active (generated by computational methods) > - $$$$