Accord 08271317192D 132138 0 0 0 0 0 0 0 0999 V2000 22.2482 7.8181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4981 8.2499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7477 7.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6819 7.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8145 7.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9987 8.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0287 6.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0287 5.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2785 7.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9064 8.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0799 8.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5228 6.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7666 7.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0104 6.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2542 7.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4982 6.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9912 8.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2350 7.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4789 8.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7227 7.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9664 8.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2104 7.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4542 8.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6980 7.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4982 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6980 7.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8694 6.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0409 7.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2124 6.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3838 7.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5553 6.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6769 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8556 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0343 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2130 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3917 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5704 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7491 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9278 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1065 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2852 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4639 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0039 10.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3178 10.3012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3536 10.5769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3834 10.3227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8820 11.1912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8462 10.9157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3978 11.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4718 10.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6529 10.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3429 10.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8164 11.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9208 11.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6568 10.6162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6926 10.8919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7225 10.6377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2210 11.5062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1852 11.2307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7368 11.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8108 10.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9920 10.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2097 12.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1554 11.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2598 11.8408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1475 10.9391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3577 10.3211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9931 9.3868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9958 9.4915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7854 10.1097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3124 9.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7791 10.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4053 8.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5321 9.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1502 11.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3356 10.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4026 8.0137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4383 8.2894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4682 8.0352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9667 8.9037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9310 8.6282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4826 8.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5566 7.8545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7377 8.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9554 9.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9012 8.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0056 9.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4208 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7558 7.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9840 7.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8933 8.3366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1034 7.7186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7389 6.7843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7415 6.8890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5311 7.5073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0582 7.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5248 7.5586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 6.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3889 7.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8959 8.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 7.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6162 7.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0073 7.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3595 6.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5738 12.4741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8842 13.2022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9198 13.4773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9302 14.4801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6199 13.7521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3657 14.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7646 12.7677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3906 14.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3078 14.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5843 13.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9947 14.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5400 12.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7061 12.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1640 12.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6217 14.2228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9321 14.9509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9677 15.2259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9781 16.2288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6678 15.5008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4136 15.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8125 14.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4386 15.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2559 16.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6322 15.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0426 15.9879 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 65 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 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 87 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 114119 1 0 0 0 0 119120 1 0 0 0 0 119121 2 0 0 0 0 68108 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 116122 1 0 0 0 0 M END > LMISSP0506AI04 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C88H158N4O38 > 1879.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261879 > - > - > Active (generated by computational methods) > - $$$$