Accord 08271317192D 150158 0 0 0 0 0 0 0 0999 V2000 24.3830 7.3833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7705 7.7359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1578 7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7371 6.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0289 6.7707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9958 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3872 6.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3872 5.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7747 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1039 8.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4290 8.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1576 6.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5401 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9227 6.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3053 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6879 6.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5401 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9226 7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3052 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6878 7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0702 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4530 7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8355 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2180 7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6879 5.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2180 6.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5415 6.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8650 6.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1884 6.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5119 6.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8354 6.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0173 5.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3467 5.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6761 5.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0055 5.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3348 5.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6642 5.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9936 5.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3230 5.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6524 5.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 5.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3112 5.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6405 5.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4398 9.4108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6525 9.6359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8603 9.4284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4509 10.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2382 9.9126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8721 10.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7490 9.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2638 9.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0107 9.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0304 10.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2991 10.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4505 9.6680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6632 9.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8711 9.6856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4616 10.3947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2489 10.1698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8828 10.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7597 9.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2746 9.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4524 10.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0411 10.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3098 10.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4558 9.1129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6685 9.3380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8764 9.1304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4669 9.8396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2542 9.6146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8881 9.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7650 8.9829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2799 9.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0267 9.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0464 9.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3151 10.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6542 8.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9277 8.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2975 8.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4665 9.3700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6792 9.5952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8871 9.3876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4776 10.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2649 9.8718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8988 10.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7757 9.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2906 9.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4684 10.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0571 10.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3258 10.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6011 9.6337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9562 9.1291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6585 8.3662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8441 8.4517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4889 8.9565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1027 8.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3002 8.9984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1785 7.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5562 8.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7867 9.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1216 9.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3749 8.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6942 8.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1652 8.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3597 7.2450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5724 7.4701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7803 7.2626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3708 7.9718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1581 7.7468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7920 7.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6690 7.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 7.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 8.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9503 7.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 8.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4943 7.5087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8494 7.0041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5517 6.2412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7373 6.3267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3821 6.8315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9959 6.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1934 6.8734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 5.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4494 6.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6799 7.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0148 7.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2681 6.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5874 6.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0585 6.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2380 7.1151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2454 6.4040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5616 6.2090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9243 5.6050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0651 6.4038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7342 6.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6206 6.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 5.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1635 5.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7489 6.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3448 9.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3522 8.5290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6684 8.3340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0311 7.7300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1719 8.5288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8409 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7274 8.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5419 7.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2702 7.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8557 8.7239 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 112131 1 0 0 0 0 141142 1 1 0 0 0 142143 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 141150 1 0 0 0 0 87141 1 0 0 0 0 M END > LMSP0505AJ03 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C98H174N4O46 > 2143.14 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261046 > - > - > Active (generated by computational methods) > - $$$$