Accord 08271317192D 173183 0 0 0 0 0 0 0 0999 V2000 24.4093 7.0869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8227 7.4247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2358 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7483 6.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0701 6.5003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4556 6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4556 5.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8690 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1420 7.9778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4956 7.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2780 6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6867 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0954 6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5041 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9128 6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3215 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7301 6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1388 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5475 6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9562 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3649 6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7736 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1823 6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5910 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9997 6.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4083 6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6442 7.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0529 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4616 7.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8703 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2790 7.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6877 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0964 7.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5051 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9138 7.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3224 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7311 7.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1398 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5486 7.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9573 7.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 9.0284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7095 9.2440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9509 9.0452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5587 9.7244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3127 9.5089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9621 9.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8019 8.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3796 9.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1372 9.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0714 9.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3711 9.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6007 9.2747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8467 9.4903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0881 9.2915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6959 9.9707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4499 9.7552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0993 9.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9391 9.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5168 9.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6871 10.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2086 9.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5083 10.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7327 8.7431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9787 8.9587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2201 8.7599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8279 9.4390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5819 9.2236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2313 9.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0712 8.6186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6488 8.9130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4064 9.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3406 9.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6403 9.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9650 8.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2270 8.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6235 8.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8647 8.2114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1107 8.4270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3521 8.2283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9600 8.9074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7139 8.6920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3633 8.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2032 8.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7808 8.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9511 9.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4727 8.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7723 9.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9967 7.6798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2427 7.8954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4841 7.6966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0920 8.3758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8460 8.1603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4953 8.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3352 7.5553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9128 7.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6704 8.1324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6047 8.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9043 8.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2290 7.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4910 7.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 7.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1287 7.1482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3747 7.3637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6161 7.1650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2240 7.8441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9780 7.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6273 7.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4672 7.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0449 7.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2151 8.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7367 7.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0363 8.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3845 7.4006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7669 6.9174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4818 6.1868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7019 6.2687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3194 6.7521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9495 6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0964 6.7922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0221 5.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4261 6.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6046 7.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 7.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1679 6.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4737 6.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9671 6.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0545 7.0237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0616 6.3427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4067 6.1559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7963 5.5775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9312 6.3425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6142 6.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4209 6.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2855 5.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0254 5.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5861 6.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2358 9.6643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6966 10.2336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9424 10.4487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9506 11.2329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4899 10.6637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2911 11.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6031 9.8939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5286 10.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4638 11.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2441 10.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7830 11.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4274 9.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5573 9.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1334 9.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9273 11.0317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3881 11.6011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6339 11.8162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6421 12.6004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1814 12.0311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9827 12.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2946 11.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2202 12.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8594 12.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 11.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4745 12.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8819 11.2613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5413 10.6716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8826 10.8442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0628 10.6570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5683 11.2468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1307 11.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0374 10.8046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5381 10.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0628 10.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2271 11.0743 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 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 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 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 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 97104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 130131 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 129138 1 0 0 0 0 110129 1 0 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 142141 1 1 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 143148 1 0 0 0 0 139148 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 150151 1 0 0 0 0 150152 2 0 0 0 0 89139 1 0 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 156155 1 1 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 157162 1 0 0 0 0 153162 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 158163 1 0 0 0 0 147153 1 0 0 0 0 164165 1 1 0 0 0 165166 1 1 0 0 0 167166 1 1 0 0 0 167168 1 0 0 0 0 168169 1 0 0 0 0 168173 1 0 0 0 0 165170 1 0 0 0 0 166171 1 0 0 0 0 167172 1 0 0 0 0 164173 1 0 0 0 0 159164 1 0 0 0 0 M END > LMISSP0504BP02 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C110H193N5O56 > 2480.24 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260933 > - > - > Active (generated by computational methods) > - $$$$