Accord 08271317192D 151159 0 0 0 0 0 0 0 0999 V2000 24.4693 6.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9425 7.2825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4155 6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7739 6.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1647 6.4523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9964 7.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6128 6.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6128 5.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0860 6.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2293 7.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6488 7.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5552 6.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0242 6.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4931 6.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9621 6.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4311 6.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8842 7.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3532 6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8221 7.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2910 6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7599 7.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2290 6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6979 7.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1668 6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4311 5.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1668 6.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5849 6.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0031 6.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4212 6.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8392 6.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2574 6.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8543 5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2775 5.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7007 5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1239 5.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5471 5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9703 5.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3935 5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8167 5.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2399 5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6631 5.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0863 5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5095 5.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5182 8.7231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8410 8.9167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1597 8.7382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8075 9.3482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4847 9.1547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1698 9.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9240 8.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6466 8.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4289 9.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1661 9.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5371 9.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9471 8.9443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2699 9.1379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5886 8.9594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2364 9.5694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9136 9.3759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5987 9.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3529 8.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0756 9.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2285 9.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5950 9.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9660 9.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3713 8.4669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6942 8.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0129 8.4820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6607 9.0919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3378 8.8984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0229 9.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7772 8.3551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4998 8.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2821 8.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0192 9.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3902 9.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6819 8.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9171 8.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3751 8.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8003 8.6881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1231 8.8817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4418 8.7032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0896 9.3131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7668 9.1196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4519 9.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2061 8.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9287 8.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0817 9.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4481 9.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8192 9.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2245 8.2106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5473 8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8660 8.2257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5138 8.8356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1910 8.6422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8761 8.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6304 8.0988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3530 8.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1353 8.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8724 8.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2434 9.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5350 7.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7703 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2283 7.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6534 8.4318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9763 8.6254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2949 8.4469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9428 9.0568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6199 8.8634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3050 9.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0593 8.3200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7819 8.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9348 9.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3013 9.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6723 9.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1889 8.6585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6342 8.2245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3781 7.5684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6777 7.6419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2322 8.0761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9001 7.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9301 8.1121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9653 7.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 7.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4884 8.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9164 8.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9943 7.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2689 8.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8140 7.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2611 6.6041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5839 6.7977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9026 6.6192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5504 7.2291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2276 7.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9127 7.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6669 6.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 6.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 7.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 7.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2800 7.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6886 8.3200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6950 7.7084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1069 7.5407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5587 7.0212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6798 7.7082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3952 7.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0177 8.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9981 7.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7644 6.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2680 7.8760 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 124131 1 0 0 0 0 142143 1 1 0 0 0 143144 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 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 142151 1 0 0 0 0 112142 1 0 0 0 0 M END > LMISSP0505AW03 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C98H174N4O47 > 2159.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261150 > - > - > Active (generated by computational methods) > - $$$$