Accord 08271317192D 103107 0 0 0 0 0 0 0 0999 V2000 22.4895 7.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7531 8.1947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0166 7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9152 7.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0637 7.0344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2262 8.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2924 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2924 5.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5560 7.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1540 8.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3426 8.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8142 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0719 7.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3296 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5874 7.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8452 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2740 8.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5317 7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7895 8.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0472 7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3048 8.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5628 7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8204 8.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0781 7.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8452 5.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0781 7.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2648 6.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4516 7.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6382 6.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8249 7.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0117 6.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0390 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2328 5.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4266 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6205 5.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8143 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0081 5.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2019 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3957 5.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5895 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 5.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2312 10.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5578 10.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6113 10.4789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6590 10.2294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1667 11.0819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1132 10.8115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6731 11.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7273 10.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9419 10.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6376 10.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0656 11.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1865 11.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9641 10.5174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0177 10.7881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0654 10.5386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5731 11.3911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5196 11.1206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0795 11.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1337 10.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3483 10.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5620 11.9456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4720 11.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5929 11.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3640 9.8501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4175 10.1207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4652 9.8712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9730 10.7237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9195 10.4533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4793 10.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5336 9.6938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7482 10.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4439 10.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8719 10.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9927 11.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4003 9.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 9.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9716 9.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7704 10.1592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8239 10.4299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8716 10.1804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3794 11.0329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3259 10.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8857 11.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9400 10.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1545 10.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 11.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2782 11.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 11.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1702 9.4919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2238 9.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2715 9.5130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7792 10.3655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7257 10.0951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2856 10.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3398 9.3356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 10.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6781 10.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 10.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2066 9.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5354 8.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7778 9.1279 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 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 61 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 73 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 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 M END > LMISSP0505BN02 > > GalNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C70H127N3O28 > 1457.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261285 > - > - > Active (generated by computational methods) > - $$$$