Accord 08271317192D 158166 0 0 0 0 0 0 0 0999 V2000 24.5423 6.7085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0879 6.9701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6333 6.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8050 6.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2796 6.2540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8035 5.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8035 5.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3491 6.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3352 7.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8346 7.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8913 5.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4333 6.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9753 5.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5172 6.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0592 5.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1751 6.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7171 6.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2590 6.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8010 6.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3429 6.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8849 6.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4268 6.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9688 6.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0592 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9688 6.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4669 5.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9650 6.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4631 5.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9612 6.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4594 5.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5617 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0642 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5667 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0692 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5717 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0742 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5768 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0793 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5818 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0843 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5868 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0893 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5918 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0943 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5968 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0993 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6018 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1043 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5844 8.2126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0003 8.3796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4127 8.2257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1089 8.7518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6930 8.5849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4214 8.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0720 8.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9702 8.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7824 8.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2807 8.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7382 8.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3668 8.4034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7827 8.5704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1951 8.4165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8913 8.9425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4754 8.7757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2038 8.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8543 8.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7526 8.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8845 9.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0631 8.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5206 9.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1452 7.9916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5611 8.1586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9735 8.0046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6697 8.5307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2538 8.3638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9822 8.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6327 7.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5310 8.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3432 8.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8415 8.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2990 8.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5505 7.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7534 7.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2859 7.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9276 8.1824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3435 8.3494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7559 8.1954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4521 8.7215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0362 8.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7646 8.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4151 8.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3134 8.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4453 9.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6239 8.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0814 8.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7059 7.7706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1219 7.9376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5342 7.7836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2305 8.3097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8145 8.1428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5429 8.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1935 7.6742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0917 7.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9039 8.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4022 8.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8597 8.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1113 7.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3142 7.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8467 7.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4883 7.9614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9043 8.1284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3166 7.9744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0129 8.5005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5969 8.3336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3253 8.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9759 7.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8741 8.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0060 8.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1846 8.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6421 8.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2667 7.5495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6827 7.7165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0950 7.5626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7912 8.0887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3753 7.9218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1037 8.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7543 7.4531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6525 7.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4647 7.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 8.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4205 8.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 7.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 7.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4075 7.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0491 7.7403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4650 7.9073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8774 7.7534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5736 8.2794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1577 8.1126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8861 8.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 7.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4349 7.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 8.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7454 8.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2029 8.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9234 7.9359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4450 7.5616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2241 6.9957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6200 7.0591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0983 7.4336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8118 7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7002 7.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 6.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3391 7.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3193 7.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8258 7.6873 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 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 148149 1 1 0 0 0 150149 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 144148 1 0 0 0 0 M END > LMISSP0505BV06 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C104H186N4O48 > 2259.22 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261353 > - > - > Active (generated by computational methods) > - $$$$