Accord 08271317182D 125130 0 0 0 0 0 0 0 0999 V2000 24.2753 7.2091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5565 7.6229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8375 7.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6909 6.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8598 6.4903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9944 7.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1068 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1068 5.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3880 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9479 8.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1559 8.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6639 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9394 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2149 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4904 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7659 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0413 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3168 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5923 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8677 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1433 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4187 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6943 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9697 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2452 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5207 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7962 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0716 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3471 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6226 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8981 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 6.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1128 7.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3882 7.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6637 7.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9392 7.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2146 7.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4902 7.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7656 7.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0411 7.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3166 7.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 7.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8675 7.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1430 7.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4185 7.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6940 7.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3420 9.5904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4174 9.8548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4870 9.6110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0061 10.4439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9308 10.1797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5008 10.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5307 9.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7864 9.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4891 10.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8612 10.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0023 10.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8312 9.8924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9065 10.1568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9761 9.9131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4952 10.7459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4199 10.4817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9899 10.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0199 9.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2756 10.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4844 11.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3504 10.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4915 11.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9783 11.9963 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0536 12.2607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1232 12.0169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6423 12.8498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5670 12.5856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1370 12.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1670 11.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4227 12.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6315 13.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4975 12.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6386 13.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4610 11.3443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5363 11.6087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6060 11.3649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1251 12.1978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0498 11.9336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6198 12.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6497 11.1916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9054 11.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1142 12.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9802 12.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 12.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5195 10.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8408 10.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1007 10.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0956 11.6539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3382 11.0613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9885 10.1653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0321 10.2657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7893 10.8586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3357 10.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7423 10.9078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4248 9.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6939 10.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1392 11.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3580 11.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8299 10.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2049 10.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5837 10.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9735 13.1385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3122 13.8367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3873 14.1005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3974 15.0622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0588 14.3641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8150 14.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1975 13.4201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8799 14.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5968 15.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9837 14.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4182 14.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9821 13.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1415 12.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6216 13.5249 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 2 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 31 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 70 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 2 0 0 0 0 80 84 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 91 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 123124 1 0 0 0 0 123125 2 0 0 0 0 81112 1 0 0 0 0 M END > LMSP0502BB08 > > GalNAcalpha1-3GalNAcbeta1-3(GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C86H154N4O33 > 1771.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260387 > - > - > Active (generated by computational methods) > - $$$$