Accord 08271317192D 171180 0 0 0 0 0 0 0 0999 V2000 24.4088 7.2014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8219 7.5392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2348 7.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 6.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0694 6.6144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4546 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4546 5.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8677 6.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1414 8.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4947 8.1057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2764 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6847 6.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0931 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5015 6.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9099 6.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6429 7.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0512 7.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4596 7.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8680 7.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2763 7.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6848 7.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0931 7.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5014 7.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9099 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5014 6.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8531 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2049 6.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5567 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9084 6.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2602 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2673 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6247 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9821 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3396 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6970 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0544 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4118 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7692 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1266 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4840 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8414 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1988 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5563 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9137 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4632 9.1442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7088 9.3599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9498 9.1610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5574 9.8405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3118 9.6250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9610 9.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8013 9.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3782 9.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1356 9.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0709 9.8238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3702 10.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5988 9.3906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8444 9.6063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0854 9.4074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6930 10.0870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4475 9.8714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0966 10.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9369 9.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5138 9.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6842 10.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2066 10.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5058 10.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7293 8.8587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9749 9.0744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2158 8.8755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8235 9.5550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5779 9.3395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2271 9.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0674 8.7341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6443 9.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4017 9.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3370 9.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6363 9.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9612 8.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2233 8.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6194 8.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8649 9.1051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1105 9.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3515 9.1220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9591 9.8015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7135 9.5859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3627 9.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2030 8.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7799 9.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9503 10.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4727 9.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7719 10.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9954 8.5732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2410 8.7889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4819 8.5900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0896 9.2695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8440 9.0540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4932 9.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3335 8.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9104 8.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6678 9.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6031 9.2528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9024 9.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2273 8.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4894 8.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8855 8.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1310 8.8196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3766 9.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6176 8.8365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2252 9.5160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9796 9.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6288 9.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4691 8.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 8.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 9.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7387 9.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0380 9.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3853 9.0722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7674 8.5887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4821 7.8578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7018 7.9397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3196 8.4234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9495 8.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 8.4635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0222 7.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4259 8.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6050 9.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 8.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1686 8.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4745 8.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9677 8.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2351 10.5588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6956 11.1284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9410 11.3436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9492 12.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4888 11.5587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2900 11.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6020 10.7885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5270 11.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4622 12.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2434 11.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7821 11.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4263 10.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5563 10.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1321 10.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9254 11.9269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3859 12.4966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6313 12.7118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6395 13.4964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1791 12.9269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9802 13.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2923 12.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2173 13.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8569 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9337 12.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4724 13.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5566 13.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8022 13.4329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0432 13.2341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6508 13.9136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4053 13.6980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0544 13.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8947 13.0927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4716 13.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6420 14.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1644 13.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4636 14.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7885 12.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0506 12.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4468 12.9271 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 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 65 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 77 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 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 93133 1 0 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 150149 1 1 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 151156 1 0 0 0 0 147156 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 152157 1 0 0 0 0 141147 1 0 0 0 0 158159 1 1 0 0 0 160159 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 158167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 169170 1 0 0 0 0 169171 2 0 0 0 0 154158 1 0 0 0 0 M END > LMISSP0505EH04 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C110H194N6O53 > 2447.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261791 > - > - > Active (generated by computational methods) > - $$$$