Accord 08271317192D 167176 0 0 0 0 0 0 0 0999 V2000 24.4089 7.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8220 7.5402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2350 7.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0696 6.6155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4548 6.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4548 5.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8680 6.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1415 8.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4949 8.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2768 6.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6852 6.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0937 6.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5021 6.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9107 6.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6432 7.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0517 7.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4601 7.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8686 7.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2770 7.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6856 7.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0940 7.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5024 7.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9107 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5024 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8542 6.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2061 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5579 6.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9097 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2616 6.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2682 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6257 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9832 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3407 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6982 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0557 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4132 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7707 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1282 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4858 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8433 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2008 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5583 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9158 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4633 9.1449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7090 9.3606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9501 9.1617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5578 9.8411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3121 9.6256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9613 9.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8015 9.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3786 9.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1361 9.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0711 9.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3704 10.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5994 9.3913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8451 9.6070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0861 9.4081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6938 10.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4481 9.8720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0974 10.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9375 9.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5147 9.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6850 10.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2071 10.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5065 10.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7302 8.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9759 9.0751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2170 8.8763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8247 9.5557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5790 9.3402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2282 9.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0684 8.7349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6455 9.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4030 9.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3380 9.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6374 9.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9622 8.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2243 8.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6205 8.5694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8663 9.1058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1120 9.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3531 9.1227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9608 9.8021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7151 9.5866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3643 9.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2045 8.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7816 9.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9520 10.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4741 9.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7735 10.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 8.5740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2429 8.7897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4840 8.5908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0917 9.2702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8460 9.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4952 9.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3354 8.4495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 8.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 9.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6050 9.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9043 9.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2292 8.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4913 8.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 8.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1332 8.8204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3789 9.0361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6200 8.8372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2277 9.5166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9820 9.3011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6313 9.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4714 8.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0486 8.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2189 9.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 9.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 9.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 9.0730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7701 8.5895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4849 7.8587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7047 7.9406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3224 8.4242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9524 8.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 8.4643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 7.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 8.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 9.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9705 8.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1712 8.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 8.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9704 8.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2367 10.5593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6973 11.1288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9428 11.3440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9510 12.1285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4905 11.5590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2917 11.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6037 10.7890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5289 11.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 12.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2450 11.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7838 11.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4280 10.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5580 10.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1339 10.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9274 11.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3879 12.4968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6335 12.7120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6416 13.4965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1812 12.9270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9823 13.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2944 12.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2195 13.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8590 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 12.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4744 13.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8815 12.1569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5408 11.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8818 11.7396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0617 11.5524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5674 12.1424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1297 12.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0371 11.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5372 11.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0617 11.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2265 11.9698 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 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 93133 1 0 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 150149 1 1 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 151156 1 0 0 0 0 147156 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 152157 1 0 0 0 0 141147 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 153158 1 0 0 0 0 M END > LMISSP0505EF04 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C108H191N5O52 > 2390.25 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261775 > - > - > Active (generated by computational methods) > - $$$$