Accord 08271317182D 146154 0 0 0 0 0 0 0 0999 V2000 24.4434 9.5397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8909 9.8578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3382 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7627 8.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1240 8.9872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 9.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5452 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5452 8.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9927 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1917 10.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5829 10.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4361 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8792 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3223 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7654 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2084 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6515 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0946 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5377 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9808 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4238 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3100 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7531 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1962 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6393 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0824 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5254 8.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9686 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7810 9.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2242 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6673 9.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1103 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5534 9.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9965 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4396 9.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8827 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3257 9.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7689 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2119 9.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6550 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0981 9.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5412 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4945 11.3689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7842 11.5720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0695 11.3847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.7000 12.0246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4104 11.8216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0800 12.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8713 11.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5313 11.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3029 11.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1252 12.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4654 12.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7974 11.6009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0871 11.8040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3724 11.6168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0029 12.2566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7133 12.0537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3829 12.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1742 11.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8342 11.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9946 12.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4281 12.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7682 12.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6058 13.2171 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.8954 13.4203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1807 13.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8112 13.8728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5216 13.6699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1913 13.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9825 13.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6425 13.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8029 14.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2364 13.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5766 14.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0204 13.4550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4385 12.9997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1699 12.3114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4351 12.3886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0169 12.8440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6684 12.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7489 12.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7369 11.9608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0935 12.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2856 13.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6855 13.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1148 12.0386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5329 11.5833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2643 10.8950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5295 10.9721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1112 11.4276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7628 11.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8433 11.4654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8312 10.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1879 11.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3800 12.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7799 11.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2091 10.6221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6272 10.1668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3586 9.4786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6238 9.5557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2056 10.0111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8571 9.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9376 10.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9256 9.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2822 9.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4743 10.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8742 10.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3035 9.2057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7216 8.7504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4530 8.0621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7182 8.1392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2999 8.5947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9515 8.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 8.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0199 7.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3766 8.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 9.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9686 8.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3978 7.7892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8159 7.3339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5473 6.6457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8125 6.7228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3943 7.1783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0458 7.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 7.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1143 6.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4709 6.9608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 7.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0629 7.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3755 5.6341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6652 5.8372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9504 5.6499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5810 6.2897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2914 6.0868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9610 6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 5.5168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4122 5.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5727 6.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0061 6.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3463 6.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6523 5.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8991 5.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3305 5.3609 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 30 2 0 0 0 0 30 31 1 0 0 0 0 31 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 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 74 78 1 0 0 0 0 89 90 1 1 0 0 0 91 90 1 1 0 0 0 92 91 1 1 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 98 1 0 0 0 0 89 98 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 94 99 1 0 0 0 0 85 89 1 0 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 103102 1 1 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104109 1 0 0 0 0 100109 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 105110 1 0 0 0 0 96100 1 0 0 0 0 111112 1 1 0 0 0 113112 1 1 0 0 0 114113 1 1 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 115120 1 0 0 0 0 111120 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 116121 1 0 0 0 0 107111 1 0 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 125124 1 1 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 126131 1 0 0 0 0 122131 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 127132 1 0 0 0 0 118122 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 129133 1 0 0 0 0 M END > LMISSP0502AZ03 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C94H168N2O48 > 2093.08 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260366 > - > - > Active (generated by computational methods) > - $$$$