Accord 08271317192D 177187 0 0 0 0 0 0 0 0999 V2000 24.5421 6.7066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0876 6.9682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6330 6.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8049 6.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2794 6.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8032 5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8032 5.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3487 6.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3351 7.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8342 7.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8908 5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4326 6.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9744 5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5163 6.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0582 5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1746 6.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7164 6.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2583 6.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8001 6.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3419 6.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8838 6.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4256 6.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9674 6.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0582 5.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9674 6.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4654 5.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9634 6.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4613 5.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9593 6.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4573 5.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5605 5.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0629 5.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5653 5.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0676 5.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5700 5.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0724 5.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5747 5.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0771 5.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5795 5.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0819 5.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5842 5.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0866 5.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0001 8.3781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4123 8.2241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1084 8.7504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6926 8.5834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4210 8.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0717 8.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9696 8.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7818 8.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2805 8.7374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7379 8.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3661 8.4019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7819 8.5690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1941 8.4150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8902 8.9412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4744 8.7743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2028 8.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8535 8.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7514 8.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8834 9.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0623 8.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5197 9.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1439 7.9900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5596 8.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9718 8.0030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6680 8.5293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2522 8.3623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9805 8.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6313 7.8936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5292 8.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3414 8.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8401 8.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2974 8.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5490 7.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7520 7.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2844 7.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9257 8.1808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3414 8.3479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7536 8.1939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4498 8.7201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0340 8.5532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7623 8.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4131 8.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3110 8.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4429 9.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6219 8.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0792 8.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7034 7.7689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1192 7.9360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5314 7.7820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2276 8.3082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8118 8.1412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5401 8.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1908 7.6725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0888 7.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9009 8.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 8.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8570 8.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1086 7.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3116 7.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8440 7.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4852 7.9597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9010 8.1268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3132 7.9728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0094 8.4990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5936 8.3321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3219 8.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9726 7.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8706 8.0914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 8.8413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1815 8.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6388 8.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2630 7.5478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6788 7.7149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0910 7.5609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7871 8.0871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3714 7.9202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0997 8.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7504 7.4514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6483 7.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4605 7.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9592 8.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4166 8.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6682 7.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 7.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 7.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0448 7.7387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4606 7.9057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8728 7.7517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5689 8.2779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1532 8.1110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8815 8.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5322 7.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4301 7.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5621 8.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 8.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1984 8.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9185 7.9343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4399 7.5598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2190 6.9938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6147 7.0572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0932 7.4318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8066 7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 7.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8629 6.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3338 7.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 7.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8207 7.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2231 9.0855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8053 9.5266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2209 9.6933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2273 10.3009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6451 9.8598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4911 10.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7328 9.2634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9003 10.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8501 10.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2295 9.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8722 10.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5967 9.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 8.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3689 9.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4344 10.1450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0166 10.5862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4322 10.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4386 11.3605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8565 10.9194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7025 11.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9441 10.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1116 11.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6069 11.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4408 10.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0836 11.2145 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 138142 1 0 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 156155 1 1 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 157162 1 0 0 0 0 153162 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 164165 1 0 0 0 0 164166 2 0 0 0 0 116153 1 0 0 0 0 167168 1 1 0 0 0 169168 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 167176 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 170175 1 0 0 0 0 172177 1 0 0 0 0 161167 1 0 0 0 0 M END > LMISSP0505BX03 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C112H197N5O58 > 2540.26 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261366 > - > - > Active (generated by computational methods) > - $$$$