Accord 08271317182D 128134 0 0 0 0 0 0 0 0999 V2000 24.3122 8.5163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6302 8.9090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9478 8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7066 7.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9179 7.8342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9947 8.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2033 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2033 6.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5212 7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0015 9.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2499 9.5674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8340 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1464 7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4589 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7712 7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0838 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3961 7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7085 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0210 7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3333 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6459 7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9582 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2707 7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5831 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8955 7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2080 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 7.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8327 7.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2600 8.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5724 8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8847 8.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1972 8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5096 8.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8221 8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1345 8.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4469 8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7593 8.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0718 8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3842 8.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6965 8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0090 8.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3214 8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3756 10.7763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4981 11.0272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6151 10.7959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1588 11.5862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0363 11.3355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6282 11.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6057 10.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9503 10.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6682 11.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9193 11.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1041 11.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0438 11.0629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1662 11.3138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2832 11.0825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8269 11.8729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7044 11.6222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2963 11.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2737 10.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6184 11.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8166 12.3871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5874 11.8535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7723 12.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3363 13.0595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.4587 13.3104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5758 13.0791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1195 13.8695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9970 13.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5889 13.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5663 12.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9110 13.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1092 14.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8800 13.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0649 14.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1425 13.3534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4236 12.7909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0918 11.9406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1842 12.0359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9027 12.5986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4723 12.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8071 12.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5569 11.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7621 12.3298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2347 13.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4934 12.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7883 11.6035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0694 11.0411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7377 10.1909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8300 10.2862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5486 10.8488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1182 10.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4530 10.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2027 9.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4080 10.5801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8806 11.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1393 11.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4342 9.8537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7153 9.2913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3836 8.4411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4758 8.5363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1945 9.0990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7641 8.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0988 9.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8486 8.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 8.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5265 9.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7852 9.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 7.1913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0585 7.4423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1755 7.2110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7192 8.0014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5967 7.7506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1885 7.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 7.0465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 7.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7089 8.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4797 7.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6646 8.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 6.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 6.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 6.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8327 6.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 6.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 5.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4957 5.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8223 5.6168 0.0000 C 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 1 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 3 29 2 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 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 6 43 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 44 53 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 49 54 1 0 0 0 0 43 44 1 0 0 0 0 55 56 1 1 0 0 0 57 56 1 1 0 0 0 58 57 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 55 64 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 60 65 1 0 0 0 0 52 55 1 0 0 0 0 66 67 1 1 0 0 0 68 67 1 1 0 0 0 69 68 1 1 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 75 1 0 0 0 0 66 75 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 71 76 1 0 0 0 0 63 66 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 73 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 84 88 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 95 99 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 106110 1 0 0 0 0 28124 1 0 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 M END > LMISSP0502AR05 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C86H156N2O38 > 1825.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260304 > - > - > Active (generated by computational methods) > - $$$$