Accord 08271317192D 173183 0 0 0 0 0 0 0 0999 V2000 24.5421 6.7061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0876 6.9678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6329 6.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8049 6.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2793 6.2515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8032 5.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8032 5.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3486 6.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3350 7.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8342 7.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8907 5.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4325 6.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9743 5.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5161 6.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0579 5.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1745 6.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7163 6.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2581 6.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7999 6.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3417 6.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8836 6.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4253 6.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9671 6.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0579 5.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9671 6.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4651 5.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9630 6.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4610 5.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9589 6.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4569 5.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5603 5.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0626 5.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5650 5.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0673 5.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5696 5.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0720 5.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5743 5.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0767 5.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0000 8.3778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4122 8.2238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1083 8.7501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6926 8.5831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4209 8.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 8.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9695 8.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7817 8.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2805 8.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7378 8.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3659 8.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7817 8.5687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1938 8.4147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8900 8.9409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4742 8.7740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2025 8.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8533 8.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7512 8.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8831 9.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0621 8.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5195 9.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1436 7.9897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5593 8.1567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9715 8.0027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6676 8.5290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2519 8.3620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9802 8.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6310 7.8932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5288 8.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3410 8.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8398 8.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2971 8.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5487 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7517 7.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2841 7.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9253 8.1805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3410 8.3476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7532 8.1936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4493 8.7198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0336 8.5529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7619 8.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4126 8.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3105 8.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4425 9.0621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6215 8.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0788 8.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7029 7.7686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1186 7.9356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5308 7.7816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2269 8.3078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8112 8.1409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5395 8.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1903 7.6721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0882 7.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9003 8.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3991 8.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8564 8.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1080 7.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3110 7.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8434 7.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4846 7.9594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9003 8.1265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3125 7.9725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0086 8.4987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5929 8.3318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3212 8.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9720 7.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8698 8.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0018 8.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1808 8.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6381 8.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2622 7.5475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6780 7.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0901 7.5605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7863 8.0867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3705 7.9198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0988 8.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7496 7.4510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6475 7.6791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4596 7.8982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9584 8.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4157 8.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6673 7.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8703 7.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4027 7.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0439 7.7383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4596 7.9054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8718 7.7513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5679 8.2776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1522 8.1107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8805 8.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5313 7.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4291 7.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 8.6199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7401 8.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 8.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 7.9340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4389 7.5595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2180 6.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6136 7.0568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0921 7.4314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8055 7.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6942 7.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8618 6.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3327 7.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3131 7.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 7.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2224 9.0852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8045 9.5264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2201 9.6931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2265 10.3007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6444 9.8596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4904 10.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7321 9.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8995 10.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8493 10.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2288 9.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8715 10.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5960 9.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6966 8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3681 9.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4336 10.1448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0157 10.5860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4314 10.7527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4377 11.3603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8556 10.9192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7016 11.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9433 10.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1107 11.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6060 11.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4400 10.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0827 11.2144 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 134138 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 155160 1 0 0 0 0 160161 1 0 0 0 0 160162 2 0 0 0 0 112149 1 0 0 0 0 163164 1 1 0 0 0 165164 1 1 0 0 0 166165 1 1 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 167172 1 0 0 0 0 163172 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 166171 1 0 0 0 0 168173 1 0 0 0 0 157163 1 0 0 0 0 M END > LMISSP0505BX01 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C108H189N5O58 > 2484.20 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261364 > - > - > Active (generated by computational methods) > - $$$$