Accord 08271317192D 171180 0 0 0 0 0 0 0 0999 V2000 24.5406 6.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0846 6.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6284 6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8043 6.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2769 6.2564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7992 5.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7992 5.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3432 6.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3328 7.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8303 7.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8837 5.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4240 6.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9643 5.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5046 6.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0449 5.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1685 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7088 6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2491 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7894 6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3296 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8700 6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4103 6.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9505 6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0449 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9505 6.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4468 5.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9432 6.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4394 5.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9357 6.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4320 5.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5456 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0464 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5471 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0478 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5485 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0492 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5499 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0506 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5513 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0520 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5527 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0534 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5541 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0548 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5555 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0562 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5569 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0576 5.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5829 8.2221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9967 8.3897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4069 8.2352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1021 8.7631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6883 8.5957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4157 8.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0686 8.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9628 8.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7744 8.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2781 8.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7336 8.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3573 8.4135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7711 8.5812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1813 8.4266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8764 8.9546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4626 8.7871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1900 8.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8430 8.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7372 8.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8696 9.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0525 8.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5080 9.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1276 8.0002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5414 8.1678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9516 8.0133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6468 8.5413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2329 8.3738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9604 8.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6133 7.9035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5075 8.1324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3190 8.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8228 8.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2783 8.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5308 7.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7344 7.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2652 7.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9020 8.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3158 8.3593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7260 8.2048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4211 8.7328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0073 8.5653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7347 8.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3876 8.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2819 8.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4143 9.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5971 8.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0527 8.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6723 7.7784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0861 7.9460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4963 7.7915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1914 8.3195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7776 8.1520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5050 8.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1580 7.6816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0522 7.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8637 8.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3675 8.3064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8230 8.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0754 7.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2791 7.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8099 7.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4466 7.9699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8605 8.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2707 7.9830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9658 8.5109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5520 8.3435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2794 8.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9323 7.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8266 8.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9589 8.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1418 8.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5974 8.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2170 7.5566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6308 7.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0410 7.5697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7361 8.0976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3223 7.9302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0497 8.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7026 7.4598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 7.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4084 7.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9122 8.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3677 8.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6201 7.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8238 7.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3546 7.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9913 7.7480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4051 7.9157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8154 7.7611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5105 8.2891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0967 8.1216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8241 8.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 7.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3713 7.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5036 8.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6865 8.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1420 8.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8579 7.9443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3777 7.5686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1561 7.0007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5498 7.0643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0298 7.4402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7423 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6339 7.4713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7987 6.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3354 7.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 8.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 7.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 7.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9272 7.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5334 7.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1562 7.6513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1617 7.1219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6526 6.9767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1780 6.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2829 7.1217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0365 6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4410 7.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5584 6.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3561 6.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 7.2670 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 154159 1 0 0 0 0 159160 1 0 0 0 0 159161 2 0 0 0 0 144148 1 0 0 0 0 162163 1 1 0 0 0 163164 1 1 0 0 0 165164 1 1 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 166171 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 162171 1 0 0 0 0 143162 1 0 0 0 0 M END > LMISSP0505CT06 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C112H199N5O52 > 2446.31 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261537 > - > - > Active (generated by computational methods) > - $$$$