Accord 08271317182D 119124 0 0 0 0 0 0 0 0999 V2000 22.0633 7.3412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3013 7.7800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5391 7.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5038 6.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6229 6.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8257 7.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8246 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8246 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0626 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7162 8.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8766 8.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2949 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5268 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7588 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9907 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2226 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4544 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6864 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9183 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1502 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3821 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6141 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8460 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0778 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3097 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7736 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0055 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 6.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7707 7.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0027 7.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2345 7.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4664 7.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6983 7.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9303 7.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1622 7.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3941 7.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6259 7.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8579 7.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0898 7.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3217 7.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5537 7.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7856 7.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8310 10.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1339 9.8640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1542 10.1442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1685 9.8859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6589 10.7684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6386 10.4884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1830 10.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2743 9.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4262 10.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1112 10.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6245 10.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7145 11.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4141 10.1841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4344 10.4642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4486 10.2059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9391 11.0884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9188 10.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4632 11.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5545 10.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7064 10.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9276 11.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9046 11.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9946 11.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3914 12.4131 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4117 12.6933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4259 12.4350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9164 13.3174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8961 13.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4405 13.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5318 12.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6837 12.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9049 13.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8819 13.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9719 13.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6648 11.7223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6851 12.0025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6994 11.7442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1898 12.6267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1695 12.3467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7139 12.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8052 11.5606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9571 11.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1783 13.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1554 12.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2454 12.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6673 11.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0077 11.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2235 11.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 12.0504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2966 11.4225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9261 10.4732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9127 10.5796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7150 11.2077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2345 10.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 11.2599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3288 9.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0857 12.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2581 11.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8176 11.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2149 11.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5567 10.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2078 13.6233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5071 14.3631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5272 14.6426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5378 15.6616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2386 14.9219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9803 15.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3856 13.9217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9896 15.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7491 16.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2185 14.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 15.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1574 13.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3262 13.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7754 14.0327 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 85 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 117118 1 0 0 0 0 117119 2 0 0 0 0 75106 1 0 0 0 0 M END > LMISSP0502BB03 > > GalNAcalpha1-3GalNAcbeta1-3(GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C80H144N4O33 > 1688.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260382 > - > - > Active (generated by computational methods) > - $$$$