Accord 08271317192D 179189 0 0 0 0 0 0 0 0999 V2000 24.5251 7.0633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0536 7.3347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5819 7.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7977 6.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2525 6.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9967 7.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7585 6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7585 5.7677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2870 6.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3102 7.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7907 7.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8120 6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3368 6.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8615 6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3862 6.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9110 6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1065 7.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6312 7.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1559 7.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6806 7.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2053 7.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7301 7.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2548 7.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7795 7.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9110 5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7795 6.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2587 6.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7380 6.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2172 6.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6964 6.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1757 6.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3948 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8786 5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3624 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8461 5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3299 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8137 5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2975 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7813 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2651 5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7489 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2327 5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7165 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2003 5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6840 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1678 5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6516 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5688 8.6240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9627 8.7973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3530 8.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0378 9.1834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6438 9.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3620 9.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0370 8.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8938 8.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6990 8.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2536 9.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6907 9.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2678 8.8219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6617 8.9952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0520 8.8355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7368 9.3813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3428 9.2082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0610 9.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7360 8.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5928 8.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7297 9.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9526 9.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3897 9.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9626 8.3946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3565 8.5679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7468 8.4082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4316 8.9540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0376 8.7809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7558 8.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4308 8.2946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2876 8.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0928 8.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6474 8.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0845 9.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3455 8.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5561 8.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0710 8.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6615 8.5926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0555 8.7659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4457 8.6061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1306 9.1520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7366 8.9788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4548 9.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1298 8.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9866 8.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1235 9.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3464 9.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7835 9.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3563 8.1653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7503 8.3386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1405 8.1788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8254 8.7247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4314 8.5515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1496 8.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8246 8.0652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6814 8.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4865 8.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0412 8.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4783 8.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7393 7.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9499 7.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4648 7.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0553 8.3633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4493 8.5365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8395 8.3768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5243 8.9227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1304 8.7495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8485 8.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5236 8.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3804 8.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5172 9.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7402 8.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1773 9.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8496 8.5662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3532 8.1778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1240 7.5906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4972 7.6564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9935 8.0449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6962 7.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6180 8.0772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7546 7.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2755 7.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2228 8.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7108 8.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 7.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9213 8.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5141 7.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1243 6.7275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5183 6.9008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9085 6.7411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5933 7.2869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1994 7.1138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9176 7.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5926 6.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4494 6.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5863 7.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8092 7.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2463 7.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9186 6.9305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4222 6.5420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1931 5.9548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5662 6.0206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0625 6.4092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7652 6.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 6.4415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8236 5.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3445 6.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2918 6.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7798 6.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7445 6.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9903 6.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 6.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2609 6.6275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2666 6.0802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7402 5.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2496 5.4651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3580 6.0800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1033 5.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5554 6.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6428 5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4337 5.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8844 6.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1919 8.2632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1976 7.7159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6712 7.5658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1806 7.1008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2890 7.7157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0343 7.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4864 8.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5738 7.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3647 6.7895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8154 7.8659 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 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 128135 1 0 0 0 0 146147 1 1 0 0 0 148147 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 146155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 157158 1 0 0 0 0 157159 2 0 0 0 0 142146 1 0 0 0 0 160161 1 1 0 0 0 161162 1 1 0 0 0 163162 1 1 0 0 0 163164 1 0 0 0 0 164165 1 0 0 0 0 164169 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 163168 1 0 0 0 0 160169 1 0 0 0 0 141160 1 0 0 0 0 170171 1 1 0 0 0 171172 1 1 0 0 0 173172 1 1 0 0 0 173174 1 0 0 0 0 174175 1 0 0 0 0 174179 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 173178 1 0 0 0 0 170179 1 0 0 0 0 116170 1 0 0 0 0 M END > LMISSP0505AY07 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C116H203N5O56 > 2562.32 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261170 > - > - > Active (generated by computational methods) > - $$$$