Accord 08271317192D 173182 0 0 0 0 0 0 0 0999 V2000 24.4088 7.2016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8219 7.5395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2348 7.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 6.6147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0695 6.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4547 6.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4547 5.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8678 6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1414 8.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4947 8.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2765 6.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6849 6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0933 6.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5016 6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9101 6.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6430 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0514 7.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4597 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8681 7.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2764 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6850 7.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0933 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5017 7.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9101 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5017 6.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8534 6.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2053 6.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5570 6.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9087 6.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2606 6.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2676 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6250 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9824 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3399 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6973 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0547 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4122 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7696 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1270 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4845 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8419 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1994 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5568 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9142 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2717 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6291 5.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4632 9.1444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7088 9.3601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9498 9.1612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5575 9.8407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3119 9.6251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9611 9.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8013 9.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3783 9.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1358 9.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0710 9.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3703 10.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5990 9.3908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8446 9.6065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0856 9.4076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6933 10.0871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4476 9.8716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0968 10.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9371 9.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5141 9.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6844 10.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2067 10.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5060 10.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7295 8.8589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9752 9.0746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2162 8.8757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8238 9.5552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5782 9.3397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2274 9.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0676 8.7343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6446 9.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4021 9.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3373 9.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6366 9.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9615 8.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2236 8.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6197 8.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8653 9.1053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1109 9.3210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3519 9.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9596 9.8016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7140 9.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3631 9.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2034 8.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7804 9.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9507 10.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4730 9.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7723 10.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9959 8.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2415 8.7891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4825 8.5902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0901 9.2697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8445 9.0542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4937 9.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3340 8.4489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9109 8.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6684 9.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6036 9.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9029 9.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2278 8.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4899 8.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8860 8.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1316 8.8198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3772 9.0355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6182 8.8367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2259 9.5161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9803 9.3006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6295 9.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4697 8.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0467 8.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2171 9.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7394 9.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0387 9.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 9.0724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7681 8.5889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4828 7.8580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7025 7.9399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3203 8.4236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9503 8.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0977 8.4637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 7.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 8.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6057 9.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 8.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1693 8.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4752 8.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9684 8.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2356 10.5589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6961 11.1285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9415 11.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9497 12.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4893 11.5588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2904 11.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6025 10.7886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5275 11.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4627 12.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2438 11.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7825 11.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4268 10.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5567 10.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1326 10.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9259 11.9270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3864 12.4967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6319 12.7119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6401 13.4965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1796 12.9269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9808 13.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2929 12.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2179 13.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8574 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9342 12.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4729 13.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5573 13.2173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8029 13.4330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0439 13.2341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6515 13.9136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4059 13.6980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0551 13.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8954 13.0927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4723 13.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6427 14.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1650 13.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4643 14.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7892 12.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0513 12.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4475 12.9272 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 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 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 141146 1 0 0 0 0 146147 1 0 0 0 0 146148 2 0 0 0 0 95135 1 0 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 152151 1 1 0 0 0 152153 1 0 0 0 0 153154 1 0 0 0 0 153158 1 0 0 0 0 149158 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 154159 1 0 0 0 0 143149 1 0 0 0 0 160161 1 1 0 0 0 162161 1 1 0 0 0 163162 1 1 0 0 0 163164 1 0 0 0 0 164165 1 0 0 0 0 164169 1 0 0 0 0 160169 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 163168 1 0 0 0 0 165170 1 0 0 0 0 166171 1 0 0 0 0 171172 1 0 0 0 0 171173 2 0 0 0 0 156160 1 0 0 0 0 M END > LMSP0505EH05 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C112H198N6O53 > 2475.30 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261792 > - > - > Active (generated by computational methods) > - $$$$