Accord 08271317182D 107111 0 0 0 0 0 0 0 0999 V2000 22.4558 7.2915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7118 7.7200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9676 7.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8858 6.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0257 6.5477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2001 7.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2463 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2463 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5025 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1169 8.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2972 8.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7529 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0030 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2532 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5032 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7534 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0035 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2536 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5037 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7539 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0039 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2540 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0044 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2544 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5046 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7547 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0048 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2549 6.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2175 7.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4676 7.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7176 7.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9678 7.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2179 7.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4680 7.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7181 7.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9683 7.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2183 7.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4685 7.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7185 7.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9686 7.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2188 7.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4688 7.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2054 10.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5247 9.7551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5680 10.0286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6055 9.7764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1080 10.6381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0646 10.3648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6197 10.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6853 9.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8807 9.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5731 10.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0273 10.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1387 10.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8924 10.0676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9357 10.3411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9732 10.0889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4757 10.9506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4323 10.6773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9875 10.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0530 9.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2484 10.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4645 11.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3950 10.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5064 11.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7837 11.2493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8271 11.5228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8646 11.2707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3670 12.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3237 11.8590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8788 12.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9444 11.0914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1398 11.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3558 12.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2863 12.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3977 12.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8097 10.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1421 10.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3763 10.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1449 10.5748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1882 10.8483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2257 10.5961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7281 11.4578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6848 11.1845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2399 11.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3055 10.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5009 10.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7169 12.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6474 11.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7588 11.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5060 9.9002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5493 10.1738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5868 9.9216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0892 10.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0459 10.5099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6010 10.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6666 9.7423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 10.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0085 10.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1199 11.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5319 9.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8643 9.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0986 9.5323 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 66 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 M END > LMISSP0503AE04 > > GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C74H135N3O28 > 1513.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260519 > - > - > Active (generated by computational methods) > - $$$$