Accord 08271317192D 136143 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 6.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0697 6.6162 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 21.6856 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 17.2069 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 15.2626 6.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2687 5.1923 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 5.1923 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 5.1923 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 15.4142 5.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7717 5.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3518 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 22.1364 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 10.1033 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 20.8455 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 19.6944 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 20.5070 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 17.2178 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 18.3387 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 18.2250 8.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6213 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 15.1130 9.3220 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 13.9619 9.8025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7161 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 10.2444 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 8.7902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4853 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 12.3366 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 12.6062 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 8.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4925 8.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8888 8.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1347 8.8209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3805 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 8.2294 9.5171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9836 9.3016 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 8.0502 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 7.3897 9.0734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7719 8.5900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4867 7.8593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7065 7.9412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3242 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 8.4649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 7.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 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 5.9724 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 6.9722 8.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0601 8.6964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0672 8.0152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4122 7.8284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8016 7.2498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9365 8.0150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6195 7.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4266 8.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2909 7.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0307 6.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5916 8.2019 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 128129 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 127136 1 0 0 0 0 108127 1 0 0 0 0 M END > LMISSP0505AQ01 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C88H156N4O42 > 1941.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261100 > - > - > Active (generated by computational methods) > - $$$$