Accord 08271317192D 192203 0 0 0 0 0 0 0 0999 V2000 24.5422 6.7069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0877 6.9685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6330 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8049 6.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2794 6.2523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3488 6.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3351 7.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8343 7.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8909 5.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4327 6.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9746 5.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5164 6.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0583 5.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1747 6.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7165 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2584 6.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8002 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3420 6.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8840 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4258 6.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9676 6.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0583 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9676 6.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4656 5.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9637 6.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4617 5.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9596 6.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4577 5.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5607 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0631 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5655 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0679 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5703 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0727 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5751 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0775 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5799 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0823 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5847 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0871 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5894 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0918 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5942 5.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0966 5.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0001 8.3784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4123 8.2244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1085 8.7506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6927 8.5837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4210 8.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0717 8.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9697 8.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7819 8.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2805 8.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7379 8.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3662 8.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7820 8.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1942 8.4152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8904 8.9414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4746 8.7745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2029 8.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8536 8.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7516 8.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8836 9.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0624 8.9284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5198 9.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1441 7.9903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5599 8.1573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9721 8.0033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6683 8.5295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2525 8.3626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9808 8.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6315 7.8938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5295 8.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3417 8.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8403 8.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2977 8.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5493 7.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7523 7.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2846 7.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9260 8.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3418 8.3481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7540 8.1942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4502 8.7203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0344 8.5534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7627 8.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4134 8.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3114 8.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4433 9.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6222 8.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0796 8.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7039 7.7692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1197 7.9362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5319 7.7822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2281 8.3084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8123 8.1415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5406 8.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1913 7.6728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0893 7.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9015 8.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4001 8.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8575 8.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1091 7.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3120 7.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8444 7.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4858 7.9600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9016 8.1271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3138 7.9731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0100 8.4993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5942 8.3324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3225 8.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9732 7.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8712 8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 8.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1820 8.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6394 8.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2636 7.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6794 7.7152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0917 7.5612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7878 8.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3720 7.9204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1004 8.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 7.4517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 7.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4612 7.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9599 8.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4172 8.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6688 7.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8718 7.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 7.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0456 7.7389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4614 7.9060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8736 7.7520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5697 8.2782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1539 8.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8823 8.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5330 7.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 7.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5629 8.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7418 8.2652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1992 8.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9194 7.9346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4408 7.5601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2199 6.9941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6156 7.0575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0941 7.4321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8075 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6961 7.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8638 6.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 7.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 7.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8216 7.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2237 9.0857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8059 9.5268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2216 9.6935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2279 10.3011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6458 9.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4918 10.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7334 9.2636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9010 10.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8508 10.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2301 9.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8728 10.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5973 9.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6980 8.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3696 9.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4351 10.1452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0173 10.5863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4330 10.7530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4393 11.3606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8572 10.9195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7032 11.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9448 10.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1124 11.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6076 11.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4415 10.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0843 11.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6008 11.1444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0166 11.3114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4288 11.1574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1250 11.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7092 11.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4375 11.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 11.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9862 11.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 12.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 11.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7544 11.8863 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 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107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 148147 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 146155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 151156 1 0 0 0 0 142146 1 0 0 0 0 157158 1 1 0 0 0 159158 1 1 0 0 0 160159 1 1 0 0 0 160161 1 0 0 0 0 161162 1 0 0 0 0 161166 1 0 0 0 0 157166 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 162167 1 0 0 0 0 163168 1 0 0 0 0 168169 1 0 0 0 0 168170 2 0 0 0 0 120157 1 0 0 0 0 171172 1 1 0 0 0 173172 1 1 0 0 0 174173 1 1 0 0 0 174175 1 0 0 0 0 175176 1 0 0 0 0 175180 1 0 0 0 0 171180 1 0 0 0 0 172177 1 0 0 0 0 173178 1 0 0 0 0 174179 1 0 0 0 0 176181 1 0 0 0 0 165171 1 0 0 0 0 182183 1 1 0 0 0 184183 1 1 0 0 0 185184 1 1 0 0 0 185186 1 0 0 0 0 186187 1 0 0 0 0 186191 1 0 0 0 0 182191 1 0 0 0 0 183188 1 0 0 0 0 184189 1 0 0 0 0 185190 1 0 0 0 0 187192 1 0 0 0 0 178182 1 0 0 0 0 M END > LMISSP0505BY05 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C122H215N5O63 > 2758.38 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261376 > - > - > Active (generated by computational methods) > - $$$$