Accord 08271317192D 142149 0 0 0 0 0 0 0 0999 V2000 24.4233 7.1522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8508 7.4818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2781 7.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0923 6.5796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4925 6.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4925 5.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9200 6.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1624 8.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5316 8.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3432 6.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7661 6.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1890 6.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6119 6.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0348 6.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7007 7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1236 7.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5465 7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9694 7.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3922 7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8152 7.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2380 7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6609 7.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0348 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6609 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0285 6.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3963 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7639 6.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1315 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4992 6.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4080 5.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7812 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1544 5.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5276 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9007 5.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2739 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6471 5.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0203 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3935 5.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1398 5.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5130 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8862 5.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2594 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4764 9.0474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7405 9.2578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0001 9.0638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6173 9.7266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3532 9.5164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0110 9.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8307 8.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4425 9.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2059 9.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0937 9.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4102 9.9820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6823 9.2877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9464 9.4982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2060 9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8233 9.9670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5592 9.7567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2170 9.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0366 9.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6485 9.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8147 10.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2997 9.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6161 10.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8832 8.7689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1473 8.9793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4069 8.7853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0242 9.4481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7600 9.2379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4178 9.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2375 8.6474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8493 8.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6127 9.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5005 9.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8170 9.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1339 8.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3896 8.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8006 8.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0891 9.0093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3532 9.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6128 9.0257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2301 9.6885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9660 9.4783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6238 9.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4435 8.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0553 9.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2215 10.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7065 9.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0229 9.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2900 8.4904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5541 8.7008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8137 8.5068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4310 9.1696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1669 8.9594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8246 9.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6443 8.3689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2562 8.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0196 8.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9073 9.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2238 9.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5407 8.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7964 8.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2074 8.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4959 8.7308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7600 8.9412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0196 8.7472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6369 9.4100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3728 9.1998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0306 9.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8503 8.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4621 8.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6283 9.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1133 9.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4298 9.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6968 8.2119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9609 8.4223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2205 8.2283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8378 8.8912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5737 8.6809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2315 8.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0511 8.0904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 8.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4264 8.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3141 8.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6306 9.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9475 7.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2032 7.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6142 7.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 8.5757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6186 7.9111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9795 7.7288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3838 7.1642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5154 7.9109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2060 7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9693 8.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8612 7.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6073 6.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1545 8.0932 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 134135 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 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 133142 1 0 0 0 0 101133 1 0 0 0 0 M END > LMISSP0505BH04 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C94H168N4O42 > 2025.11 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261239 > - > - > Active (generated by computational methods) > - $$$$