Accord 08271317192D 155163 0 0 0 0 0 0 0 0999 V2000 24.4694 6.9797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9426 7.2830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4156 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7739 6.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1648 6.4529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9964 7.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6129 6.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6129 5.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0861 6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2293 7.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6489 7.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5554 6.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0244 6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4934 6.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9623 6.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4314 6.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8844 7.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3533 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8223 7.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2913 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7602 7.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2293 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6982 7.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1672 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4314 5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1672 6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5854 6.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0036 6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4217 6.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8398 6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2580 6.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8546 5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2779 5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7011 5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1244 5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5476 5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9709 5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3941 5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8174 5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2406 5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6639 5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0871 5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5104 5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9336 5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3568 5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7801 5.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2033 5.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5182 8.7235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8411 8.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1598 8.7386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8077 9.3485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4848 9.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1699 9.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9241 8.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6468 8.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4291 9.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1661 9.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5372 9.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9473 8.9447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2702 9.1383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5889 8.9598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2368 9.5697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9139 9.3762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5990 9.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3532 8.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0759 9.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2288 9.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5952 9.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9663 9.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3717 8.4672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6946 8.6609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0133 8.4824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6612 9.0922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3383 8.8988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0234 9.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7776 8.3555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5003 8.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2826 8.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0196 9.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3907 9.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6823 8.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9176 8.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3756 8.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8008 8.6884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1237 8.8820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4425 8.7035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0903 9.3134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7674 9.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4525 9.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2067 8.5766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9294 8.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0824 9.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4488 9.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8198 9.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2253 8.2110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5482 8.4046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8669 8.2261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5147 8.8360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1918 8.6425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8770 8.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6312 8.0992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3539 8.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1362 8.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8732 8.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2442 9.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5358 7.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7711 7.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2291 7.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6544 8.4322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9773 8.6258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2960 8.4473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9438 9.0572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6209 8.8637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3061 9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0603 8.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7830 8.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9359 9.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3023 9.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6733 9.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 8.6589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6353 8.2249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3793 7.5689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6789 7.6424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2334 8.0765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9013 7.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9312 8.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9665 7.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4313 7.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4896 8.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9176 8.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9954 7.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 8.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8152 7.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2623 6.6046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5852 6.7982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9040 6.6197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5518 7.2296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2289 7.0361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9140 7.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 6.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3909 6.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5439 7.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9103 7.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2813 7.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6897 8.3204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6960 7.7089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1079 7.5411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5598 7.0217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6809 7.7087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3963 7.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0187 8.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9991 7.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7655 6.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2690 7.8765 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 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 128135 1 0 0 0 0 146147 1 1 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 146155 1 0 0 0 0 116146 1 0 0 0 0 M END > LMSP0505AW05 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C102H182N4O47 > 2215.20 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261152 > - > - > Active (generated by computational methods) > - $$$$