Accord 08271317192D 159167 0 0 0 0 0 0 0 0999 V2000 24.4089 7.2030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8221 7.5408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2352 7.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0697 6.6161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4550 6.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4550 5.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8682 6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1416 8.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4950 8.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2770 6.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6855 6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0941 6.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5026 6.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9112 6.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6435 7.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0520 7.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4605 7.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8690 7.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2774 7.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6861 7.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0945 7.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5030 7.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9112 5.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5030 6.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8549 6.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2068 6.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5587 6.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9106 6.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 6.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2687 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6263 5.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9839 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3414 5.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6990 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0566 5.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4141 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7717 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1293 5.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4868 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8444 5.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2020 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5595 5.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9171 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2747 5.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6322 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4633 9.1453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7091 9.3610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9503 9.1622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5580 9.8415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3122 9.6260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9615 9.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8016 9.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3788 9.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1363 9.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0712 9.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3706 10.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5997 9.3917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8454 9.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0866 9.4086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6943 10.0879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4486 9.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0978 10.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9379 9.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5152 9.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6855 10.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2075 10.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5069 10.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7308 8.8599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9766 9.0756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2177 8.8768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8255 9.5561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5797 9.3406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2290 9.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0691 8.7354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6463 9.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4038 9.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3386 9.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6381 9.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9629 8.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2249 8.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6212 8.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8672 9.1063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1129 9.3219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3541 9.1231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9618 9.8025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7160 9.5870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3653 9.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2054 8.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7827 9.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9530 10.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4750 9.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7744 10.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9983 8.5745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2441 8.7901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4852 8.5913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0930 9.2707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8472 9.0552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4965 9.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3365 8.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9138 8.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6713 9.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6061 9.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9056 9.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2304 8.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4924 8.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8887 8.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1346 8.8209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3804 9.0365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6216 8.8377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2293 9.5170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9835 9.3015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6328 9.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4729 8.6964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0501 8.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2205 9.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7425 9.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0419 9.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3896 9.0734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7718 8.5900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4866 7.8592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7065 7.9411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3241 8.4247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9542 8.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1014 8.4648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0268 7.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 8.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 9.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9723 8.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1729 8.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4788 8.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9721 8.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2378 10.5596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6984 11.1291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9440 11.3443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9521 12.1287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4916 11.5593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2928 11.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6048 10.7893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5301 11.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4653 12.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2460 11.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7848 11.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4291 10.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5591 10.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 10.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9286 11.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3892 12.4970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6348 12.7121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6430 13.4966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1825 12.9271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9836 13.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2957 12.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 13.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8603 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9369 12.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4756 13.3081 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 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 141146 1 0 0 0 0 146147 1 0 0 0 0 146148 2 0 0 0 0 95135 1 0 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 152151 1 1 0 0 0 152153 1 0 0 0 0 153154 1 0 0 0 0 153158 1 0 0 0 0 149158 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 154159 1 0 0 0 0 143149 1 0 0 0 0 M END > LMISSP0505EM07 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C104H183N5O48 > 2270.20 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261826 > - > - > Active (generated by computational methods) > - $$$$