Accord 08271317192D 167176 0 0 0 0 0 0 0 0999 V2000 24.5406 6.7121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0845 6.9746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6283 6.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8043 6.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2769 6.2559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 5.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 5.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3431 6.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3328 7.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8303 7.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8836 5.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4238 6.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9641 5.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5044 6.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0447 5.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1684 6.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7086 6.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2489 6.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7892 6.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3294 6.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8698 6.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4100 6.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9502 6.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0447 5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9502 6.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4465 5.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9428 6.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4390 5.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9353 6.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4316 5.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5454 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0461 5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5467 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0474 5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5481 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0487 5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5494 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0501 5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5508 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0514 5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5521 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0528 5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5534 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0541 5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5829 8.2217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9967 8.3893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4068 8.2348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1020 8.7628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6882 8.5953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4156 8.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0685 8.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9627 8.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7742 8.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2781 8.7498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7336 8.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3571 8.4132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7709 8.5808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1811 8.4263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8762 8.9543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4624 8.7868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1898 8.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8428 8.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7369 8.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8693 9.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0523 8.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5078 9.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1273 7.9999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5411 8.1675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9513 8.0130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6464 8.5410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2326 8.3735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9600 8.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6130 7.9031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5071 8.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3187 8.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8225 8.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2780 8.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5304 7.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7341 7.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2649 7.7744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9015 8.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3153 8.3590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7255 8.2045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4206 8.7325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0068 8.5650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7342 8.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3872 8.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2814 8.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4138 9.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5967 8.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0522 8.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6717 7.7780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0855 7.9457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4957 7.7911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1908 8.3191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7770 8.1516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5044 8.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1574 7.6813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0516 7.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8631 8.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3669 8.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8224 8.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0749 7.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2785 7.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8093 7.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4460 7.9695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8597 8.1371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2699 7.9826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9650 8.5106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5513 8.3431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2787 8.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9316 7.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8258 8.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9582 8.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1411 8.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5966 8.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 7.5562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6299 7.7238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0401 7.5693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7352 8.0973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3214 7.9298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0488 8.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7018 7.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 7.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4075 7.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9113 8.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3668 8.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6193 7.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8230 7.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3537 7.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 7.7477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4042 7.9153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8143 7.7608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5095 8.2888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0957 8.1213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8231 8.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4760 7.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3702 7.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5026 8.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6856 8.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 8.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 7.9440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3766 7.5683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1550 7.0003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5486 7.0639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0287 7.4398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7411 7.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6328 7.4710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7976 6.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 7.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2505 8.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7552 7.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6884 7.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9261 7.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5323 7.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 7.6509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1607 7.1215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6515 6.9763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1770 6.5265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2818 7.1213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0354 6.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 7.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5573 6.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3551 6.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7910 7.2666 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 159160 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 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 158167 1 0 0 0 0 139158 1 0 0 0 0 M END > LMISSP0505CT04 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C108H191N5O52 > 2390.25 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261535 > - > - > Active (generated by computational methods) > - $$$$