Accord 08271317182D 144151 0 0 0 0 0 0 0 0999 V2000 23.9045 7.3418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1423 7.7808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3798 7.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3451 6.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4638 6.5797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6671 7.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6654 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6654 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9032 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5573 8.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7175 8.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1352 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3668 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5986 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8302 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0619 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2935 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5252 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7568 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9885 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2201 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4518 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6835 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9151 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1468 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3784 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6101 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0735 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5368 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6112 7.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8428 7.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0744 7.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3062 7.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5378 7.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7695 7.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0011 7.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2328 7.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4644 7.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6961 7.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9278 7.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1594 7.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3911 7.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6227 7.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6726 10.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9751 9.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9949 10.1463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0088 9.8879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4990 10.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4792 10.4907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0234 10.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1151 9.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2661 10.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9510 10.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4655 10.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5549 11.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2535 10.1862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2733 10.4665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2871 10.2081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7773 11.0910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7575 10.8109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3017 11.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3935 10.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5445 10.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7658 11.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7438 11.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8334 11.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2293 12.4164 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2491 12.6966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2629 12.4382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7531 13.3211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7333 13.0411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2775 13.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3693 12.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5203 12.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7416 13.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7196 13.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8092 13.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5009 11.7252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5207 12.0055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5345 11.7471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0247 12.6300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0049 12.3499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5491 12.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6409 11.5634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7918 11.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0132 13.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9912 12.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0808 12.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5029 11.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8435 11.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0589 11.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9334 12.0535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1305 11.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7599 10.4755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7460 10.5819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5487 11.2104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0408 11.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5588 11.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1623 9.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 10.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9195 12.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 11.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6518 11.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0493 11.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3908 10.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0442 13.6272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3432 14.3673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3628 14.6470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3734 15.6664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0745 14.9264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8161 15.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2216 13.9257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8248 15.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5848 16.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0549 14.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4555 15.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9933 13.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1622 13.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 14.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8055 14.2843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8253 14.5645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8391 14.3062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3293 15.1890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3095 14.9090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8536 15.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9454 14.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0964 14.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3178 15.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2958 15.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3853 15.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4089 14.1225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4182 13.2372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5668 12.9944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7733 12.2424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9487 13.2369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5366 12.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8853 13.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 12.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0209 11.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 13.4798 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 16 17 1 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 24 25 2 0 0 0 0 25 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 89 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 121122 1 0 0 0 0 121123 2 0 0 0 0 79110 1 0 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 128133 1 0 0 0 0 124133 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 129134 1 0 0 0 0 117124 1 0 0 0 0 135136 1 1 0 0 0 136137 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 135144 1 0 0 0 0 130135 1 0 0 0 0 M END > LMSP0502AV07 > > GalNAcalpha1-3GalNAcbeta1-3(Fucalpha1-2Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C96H170N4O42 > 2051.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260338 > - > - > Active (generated by computational methods) > - $$$$