Accord 08271317192D 162171 0 0 0 0 0 0 0 0999 V2000 24.5902 6.5275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1833 6.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7764 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 6.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3550 6.1206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9972 6.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5219 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4048 7.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9565 7.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1120 5.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7019 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2918 5.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8817 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4717 5.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3661 6.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9560 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5459 6.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1358 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7256 6.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3156 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9055 6.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4953 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4717 5.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4953 6.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0460 5.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5966 6.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1473 5.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6979 6.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2486 5.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0262 5.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5808 5.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1354 5.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6900 5.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2445 5.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7991 5.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3537 5.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9082 5.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6279 7.8742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1050 8.0237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5788 7.8859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3068 8.3569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8298 8.2075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5866 8.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1691 7.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1826 7.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0145 8.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3560 8.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8703 8.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6424 8.0450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1195 8.1945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5933 8.0567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3213 8.5277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8443 8.3783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6011 8.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1836 7.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1971 8.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3152 8.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3705 8.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8848 8.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6533 7.6763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1303 7.8258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6042 7.6880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3322 8.1590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8552 8.0096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6120 8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1945 7.5900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2080 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0399 7.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3814 8.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8956 8.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1208 7.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3025 7.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8840 7.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6678 7.8471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1448 7.9966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6187 7.8588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3467 8.3298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8697 8.1804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6265 8.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2090 7.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2225 7.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3406 8.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3959 8.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9101 8.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6787 7.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1557 7.6279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6296 7.4901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3576 7.9611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8806 7.8117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6374 7.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2198 7.3921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2334 7.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0653 7.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4068 7.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9210 8.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1462 7.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3279 7.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9093 7.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6932 7.6492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1702 7.7987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6441 7.6609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3721 8.1319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8950 7.9825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6519 8.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2343 7.5629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2479 7.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3660 8.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4212 8.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9355 8.3134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 7.2805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1811 7.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6550 7.2922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3830 7.7632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9059 7.6138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6628 7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2452 7.1942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2588 7.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0906 7.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4321 7.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9464 7.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1716 7.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3533 6.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9347 7.0794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7185 7.4513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1956 7.6008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6695 7.4630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3975 7.9340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9204 7.7846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6772 7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2597 7.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2733 7.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3914 8.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4466 7.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9609 8.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7294 7.0826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2065 7.2321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6804 7.0943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4084 7.5653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9313 7.4159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6881 7.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2706 6.9963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2842 7.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 7.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4575 7.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9718 7.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 6.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 6.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9601 6.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7439 7.2534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2210 7.4029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6948 7.2651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4229 7.7361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9458 7.5867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7026 7.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2851 7.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2986 7.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 8.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 7.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9863 7.9176 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 121127 1 0 0 0 0 138139 1 1 0 0 0 140139 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 138147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 149150 1 0 0 0 0 149151 2 0 0 0 0 134138 1 0 0 0 0 152153 1 1 0 0 0 154153 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 152161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 157162 1 0 0 0 0 146152 1 0 0 0 0 M END > LMISSP0505EN01 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C102H179N5O53 > 2322.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261828 > - > - > Active (generated by computational methods) > - $$$$