Accord 08271317182D 114119 0 0 0 0 0 0 0 0999 V2000 24.2674 7.2395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5399 7.6585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8121 7.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6879 6.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8468 6.5120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 7.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 5.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3572 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9359 8.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1343 8.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6242 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8909 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1576 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4242 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6909 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9575 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2242 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4909 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7575 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0242 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2909 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5575 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8242 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0908 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3575 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6242 6.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0784 7.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3451 7.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6117 7.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8784 7.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1451 7.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4117 7.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6784 7.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9451 7.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2117 7.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4784 7.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7450 7.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0117 7.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2785 7.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5451 7.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3346 9.6473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3995 9.9147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4587 9.6682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9724 10.5104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9075 10.2433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4726 10.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5142 9.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7502 9.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4496 10.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8484 10.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9798 10.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7842 9.9528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8491 10.2201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9083 9.9736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4220 10.8159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3571 10.5487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9222 10.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9638 9.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1998 10.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4110 11.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2980 10.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4294 11.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7456 11.1078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8106 11.3752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8697 11.1287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3834 11.9710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3185 11.7038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8836 11.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9252 10.9535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 11.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3724 12.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 11.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3909 12.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7936 10.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1185 10.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3700 10.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1888 10.4485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2537 10.7159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3129 10.4694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8265 11.3117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7616 11.0445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3268 11.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3683 10.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6044 10.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8156 11.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7026 11.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 11.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7855 10.7617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0195 10.1623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6659 9.2563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6987 9.3578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4645 9.9574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0058 9.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4281 10.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0959 8.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2490 9.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8183 10.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0283 10.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1234 7.9246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1883 8.1920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2475 7.9455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7611 8.7878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6962 8.5206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2614 8.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 7.7703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5390 8.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7502 9.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6372 8.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7686 9.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1713 7.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4962 7.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7477 7.5650 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 3 28 2 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 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 62 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 86 90 1 0 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 101110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 112113 1 0 0 0 0 112114 2 0 0 0 0 97101 1 0 0 0 0 M END > LMISSP0503AM02 > > GalNAcbeta1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260581 > - > - > Active (generated by computational methods) > - $$$$