Accord 08271317192D 153161 0 0 0 0 0 0 0 0999 V2000 24.4089 7.2023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8220 7.5401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2350 7.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0696 6.6154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4548 6.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4548 5.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8680 6.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1415 8.0935 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 22.2767 6.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6852 6.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0936 6.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5021 6.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9106 6.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6432 7.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0516 7.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4601 7.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8685 7.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2769 7.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6855 7.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0939 7.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5023 7.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9106 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5023 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8541 6.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2060 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5578 6.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9096 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2615 6.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2681 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6256 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9831 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3406 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6981 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0556 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4131 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7706 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1281 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4856 5.5622 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 9.1448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7090 9.3605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9500 9.1617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5577 9.8411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3120 9.6256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9613 9.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8015 9.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3786 9.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1360 9.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0711 9.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3704 10.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5993 9.3912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8450 9.6069 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 20.0973 10.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9375 9.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5146 9.5612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6849 10.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2071 10.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5065 10.3492 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 17.9758 9.0751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2169 8.8762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8246 9.5556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5789 9.3401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2281 9.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0683 8.7349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6454 9.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4029 9.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3379 9.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6373 9.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9621 8.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2242 8.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6205 8.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8662 9.1058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1119 9.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3530 9.1226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9607 9.8020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7150 9.5865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3642 9.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2044 8.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7815 9.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9518 10.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4740 9.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7733 10.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9970 8.5739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2427 8.7896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4838 8.5908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0915 9.2702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8458 9.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4950 9.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3352 8.4494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9123 8.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6698 9.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6048 9.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9042 9.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2290 8.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4911 8.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8873 8.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1331 8.8203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3788 9.0360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6198 8.8372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2275 9.5166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9818 9.3011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6311 9.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4712 8.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0483 8.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2187 9.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7408 9.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0402 9.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3878 9.0729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7699 8.5894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4847 7.8586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7044 7.9405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3222 8.4241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9522 8.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 8.4643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0248 7.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4286 8.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6075 9.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 8.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 8.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4769 8.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9702 8.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2366 10.5592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6972 11.1288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9427 11.3440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9509 12.1285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4904 11.5590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2916 11.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6036 10.7889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5288 11.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4639 12.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2449 11.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7836 11.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4279 10.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5579 10.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1338 10.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9272 11.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3878 12.4968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6333 12.7120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6415 13.4965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1810 12.9270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9822 13.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2942 12.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2194 13.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8588 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9355 12.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4742 13.3081 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 140141 1 0 0 0 0 140142 2 0 0 0 0 89129 1 0 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 146145 1 1 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 147152 1 0 0 0 0 143152 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 148153 1 0 0 0 0 137143 1 0 0 0 0 M END > LMISSP0505EM02 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C98H173N5O48 > 2188.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261821 > - > - > Active (generated by computational methods) > - $$$$