Accord 08271317182D 132138 0 0 0 0 0 0 0 0999 V2000 24.4094 6.8043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8233 7.1418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2370 6.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0706 6.2182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9958 7.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4566 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4566 5.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8706 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1425 7.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4967 7.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2801 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6893 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0985 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5077 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9170 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3262 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7354 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1446 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5539 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9631 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3723 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7815 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1907 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6000 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0092 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4185 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8276 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2369 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6461 5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 6.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6461 7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0553 6.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4644 7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8737 6.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2829 7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6922 6.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1014 7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5106 6.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9198 7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3291 6.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7383 7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1475 6.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5567 7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9659 6.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4637 8.7451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7100 8.9606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9517 8.7619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5598 9.4408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3134 9.2254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9630 9.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8025 8.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3807 8.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1384 9.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0718 9.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3718 9.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6021 8.9913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8485 9.2068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0902 9.0081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6982 9.6870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4519 9.4716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1014 9.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9409 8.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5192 9.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6894 10.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2102 9.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5102 9.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7354 8.4599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9817 8.6754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2234 8.4767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8314 9.1556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5851 8.9402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2346 9.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0741 8.3355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6524 8.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4101 8.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3435 9.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6434 9.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9680 8.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2299 7.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6266 8.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8686 7.9285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1149 8.1440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3566 7.9453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9646 8.6241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7183 8.4088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3678 8.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2073 7.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7856 8.0983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9558 9.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4767 8.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7766 8.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0018 7.3971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2481 7.6126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4898 7.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0979 8.0927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8515 7.8774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5011 8.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3405 7.2726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9188 7.5669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6765 7.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6099 8.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9099 8.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2344 7.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4963 6.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8930 7.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1350 6.8656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3814 7.0811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6231 6.8825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2311 7.5613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9848 7.3460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6343 7.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4738 6.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 7.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2223 8.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7431 7.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0431 7.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 7.1180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7746 6.6350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4897 5.9047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7101 5.9866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3273 6.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9576 6.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 6.5099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0302 5.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4344 6.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 7.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9757 6.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1754 6.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 6.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9748 6.0507 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 76 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 101108 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 M END > LMISSP0504AO04 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C88H158N4O38 > 1879.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260727 > - > - > Active (generated by computational methods) > - $$$$