Accord 08271317192D 164173 0 0 0 0 0 0 0 0999 V2000 24.5902 6.5277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1834 6.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7764 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 6.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3550 6.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9972 6.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5220 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4048 7.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9566 7.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1121 5.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7020 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2919 5.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8818 6.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4718 5.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3661 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9560 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5459 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1359 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7257 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3157 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9056 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4955 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4718 5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4955 6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0461 5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5968 6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1474 5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6981 6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2488 5.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0263 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5809 5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1355 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6901 5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2447 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7993 5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3539 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9084 5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4630 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0176 5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6279 7.8744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1050 8.0239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5789 7.8860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3069 8.3570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8298 8.2076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5866 8.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1691 7.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1827 7.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0145 8.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3560 8.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8703 8.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6425 8.0452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1195 8.1947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5934 8.0568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3214 8.5278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8444 8.3784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6012 8.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1837 7.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1972 8.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3153 8.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3706 8.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8848 8.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6534 7.6765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1305 7.8260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6044 7.6881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3324 8.1591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8553 8.0097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6121 8.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1946 7.5901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2082 7.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0400 7.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3815 8.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8958 8.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1210 7.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3027 7.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8841 7.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6680 7.8473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1450 7.9968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6189 7.8590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3469 8.3300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8699 8.1805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6267 8.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2091 7.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2227 7.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3408 8.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3960 8.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9103 8.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6789 7.4786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1560 7.6281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6298 7.4902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3579 7.9612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8808 7.8118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6376 7.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2201 7.3922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2337 7.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0655 7.7925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4070 7.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9213 8.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1465 7.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3282 7.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9096 7.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6934 7.6494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1705 7.7989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6444 7.6611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3724 8.1321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8953 7.9827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6522 8.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2346 7.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2482 7.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3663 8.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4215 8.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9358 8.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7044 7.2807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1815 7.4302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6553 7.2924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3834 7.7634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9063 7.6139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6631 7.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2456 7.1943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 7.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0910 7.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4325 7.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9468 7.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1720 7.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3537 6.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9351 7.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7189 7.4515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1960 7.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6699 7.4632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3979 7.9342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9208 7.7848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6777 7.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2601 7.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2737 7.5694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3918 8.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4470 7.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9613 8.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7299 7.0828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2070 7.2323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6808 7.0945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4089 7.5655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9318 7.4161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6886 7.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2711 6.9965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2846 7.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1165 7.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4580 7.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9723 7.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 6.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3791 6.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9606 6.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 7.2536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2215 7.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6954 7.2653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4234 7.7363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9463 7.5869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7032 7.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2856 7.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2992 7.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4173 8.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4725 7.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 7.9177 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 123129 1 0 0 0 0 140141 1 1 0 0 0 142141 1 1 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144149 1 0 0 0 0 140149 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 151152 1 0 0 0 0 151153 2 0 0 0 0 136140 1 0 0 0 0 154155 1 1 0 0 0 156155 1 1 0 0 0 157156 1 1 0 0 0 157158 1 0 0 0 0 158159 1 0 0 0 0 158163 1 0 0 0 0 154163 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 159164 1 0 0 0 0 148154 1 0 0 0 0 M END > LMISSP0505EN02 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C104H183N5O53 > 2350.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261829 > - > - > Active (generated by computational methods) > - $$$$