Accord 08271317192D 136142 0 0 0 0 0 0 0 0999 V2000 24.4234 7.1532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8509 7.4827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2783 7.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0924 6.5807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4927 6.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4927 5.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9203 6.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1626 8.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5318 8.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3436 6.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7666 6.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1895 6.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6125 6.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0355 6.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7010 7.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1240 7.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5470 7.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9699 7.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3928 7.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8160 7.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2388 7.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6618 7.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0355 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6618 6.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0295 6.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3973 6.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7650 6.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1327 6.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5005 6.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4088 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7821 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1553 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5286 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9019 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2751 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6484 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0217 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3950 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7682 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1415 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5148 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8880 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2613 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6346 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0078 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3811 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7544 5.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4764 9.0480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7407 9.2584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0004 9.0645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6177 9.7272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3535 9.5170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0113 9.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8309 8.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4429 9.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2063 9.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0939 9.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4104 9.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6828 9.2884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9470 9.4988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2067 9.3048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8240 9.9676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5598 9.7573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2176 9.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0372 9.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6492 9.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8154 10.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3002 9.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6168 10.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8840 8.7696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1482 8.9800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4079 8.7860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0253 9.4488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7611 9.2385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4189 9.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2385 8.6481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8505 8.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6139 9.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5014 9.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8180 9.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1349 8.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3905 8.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8016 8.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0904 9.0099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3546 9.2203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6143 9.0264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2316 9.6891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9674 9.4789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6252 9.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4448 8.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0568 9.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2230 10.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7078 9.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0243 9.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2916 8.4911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5558 8.7015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8155 8.5076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4329 9.1703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1687 8.9601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8265 9.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6460 8.3697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2581 8.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0215 8.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9090 9.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2256 9.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5425 8.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7981 8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2092 8.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 8.7315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7622 8.9419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0219 8.7479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6392 9.4107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3750 9.2004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0328 9.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8524 8.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 8.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6306 9.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1154 9.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4319 9.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6992 8.2127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9634 8.4231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2231 8.2291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8405 8.8919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5762 8.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2341 8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0536 8.0912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6657 8.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4291 8.6544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3166 8.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6332 9.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 7.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 7.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6168 7.9297 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 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 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 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 94 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 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 M END > LMSP0505BF06 > > GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C92H166N4O38 > 1935.12 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261225 > - > - > Active (generated by computational methods) > - $$$$