Accord 08271317192D 120125 0 0 0 0 0 0 0 0999 V2000 24.2858 7.6684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5768 8.0765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8676 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6957 6.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8759 6.9593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1332 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1332 5.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4241 6.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9628 8.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1815 8.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7099 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9952 6.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2805 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5658 6.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8512 6.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1526 8.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4379 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7232 8.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0085 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2937 8.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5792 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8644 8.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1497 7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8512 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1497 6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3666 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5836 6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8004 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0173 6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2343 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0749 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2987 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5224 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7462 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9699 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1937 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4174 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6412 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8649 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0887 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3124 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5362 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7599 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9837 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2075 5.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4312 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3515 10.0153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4402 10.2759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5233 10.0357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0493 10.8565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9607 10.5961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5369 10.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5520 9.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8329 10.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5399 10.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8777 10.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0312 11.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8914 10.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9801 10.5736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0632 10.3334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5892 11.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5005 10.8938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0767 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0918 10.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3727 10.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5785 11.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4175 11.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5711 11.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 9.6704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5136 9.9310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5967 9.6908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1228 10.5116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0341 10.2513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6103 10.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6254 9.5200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9063 9.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6133 10.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9511 10.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1046 10.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4971 9.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8137 9.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0843 9.3200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9648 9.9681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0535 10.2287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1366 9.9885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6626 10.8093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5739 10.5489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1502 10.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1652 9.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4461 10.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6519 11.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4910 10.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6445 11.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6480 10.2733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9015 9.6892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5569 8.8062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6143 8.9052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3606 9.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9136 9.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2998 9.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0014 8.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 9.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 10.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9355 9.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0536 7.5084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1423 7.7690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2254 7.5287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7514 8.3496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6628 8.0892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2390 8.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 7.3580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5349 7.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 8.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 8.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 8.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1257 7.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4424 6.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7129 7.1579 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 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 92 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 118119 1 0 0 0 0 118120 2 0 0 0 0 103107 1 0 0 0 0 M END > LMISSP0505EL07 > > GalNAcbeta1-3Galalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O33 > 1701.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261818 > - > - > Active (generated by computational methods) > - $$$$