Accord 08271317192D 144151 0 0 0 0 0 0 0 0999 V2000 24.4233 7.1524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8508 7.4819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2781 7.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0923 6.5798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4926 6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4926 5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9200 6.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1625 8.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5316 8.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3433 6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7662 6.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1891 6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6119 6.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0349 6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7008 7.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1237 7.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5466 7.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9695 7.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3923 7.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8153 7.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2381 7.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6610 7.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0349 5.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6610 6.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0287 6.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3964 6.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7640 6.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1317 6.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4994 6.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4081 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7813 5.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1545 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5277 5.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9009 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2741 5.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6473 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0205 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3937 5.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7669 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1400 5.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5132 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8864 5.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2596 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6328 5.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0060 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4764 9.0474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7405 9.2579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0001 9.0639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6174 9.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3533 9.5164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0111 9.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8307 8.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4426 9.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2060 9.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0937 9.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4102 9.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6824 9.2878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9465 9.4982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2061 9.3043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8234 9.9671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5593 9.7568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2171 9.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0367 9.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6486 9.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8148 10.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2997 9.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6162 10.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8833 8.7690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1474 8.9794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4070 8.7854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0243 9.4482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7602 9.2380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4180 9.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2376 8.6475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8495 8.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6129 9.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5007 9.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8171 9.7036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1340 8.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3897 8.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8007 8.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0893 9.0093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3534 9.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6130 9.0258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2303 9.6886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9662 9.4783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6240 9.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4436 8.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0555 9.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2217 10.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7066 9.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0231 9.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2902 8.4905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5543 8.7009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8139 8.5069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4312 9.1697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1671 8.9595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8249 9.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6445 8.3690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2564 8.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0198 8.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9076 9.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2240 9.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5410 8.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7966 8.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2076 8.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4962 8.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7603 8.9413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0199 8.7473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6372 9.4101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3731 9.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0309 9.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8505 8.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4624 8.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 9.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1136 9.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4300 9.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6971 8.2120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9612 8.4224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2208 8.2284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8381 8.8912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5740 8.6810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2318 8.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0515 8.0905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6633 8.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4267 8.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 8.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 9.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9479 7.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2035 7.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 7.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6120 8.5758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6189 7.9112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9798 7.7289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3840 7.1644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5157 7.9110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2063 7.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9695 8.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8615 7.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6076 6.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1548 8.0933 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 2 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 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 92 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 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 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 103135 1 0 0 0 0 M END > LMISSP0505BH07 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C96H170N4O42 > 2051.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261242 > - > - > Active (generated by computational methods) > - $$$$