LMSP0502BM01 LIPID_MAPS_STRUCTURE_DATABASE 108113 0 0 0 999 V2000 9.0466 2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1756 3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3043 2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5499 1.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 1.9730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9178 3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6305 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6305 0.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6496 4.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 4.1860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8821 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6143 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8975 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7755 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5313 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4258 3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5479 2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2801 2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5978 3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4757 2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3538 3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2317 2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1095 3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9875 2.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8270 6.4679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9131 4.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9499 6.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3642 7.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9659 7.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8503 6.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3666 5.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3967 5.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9153 6.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3989 7.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9173 8.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 4.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 4.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 6.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5045 7.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 8.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9847 6.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4951 5.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5252 5.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 6.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5393 7.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 8.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 4.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8298 4.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 6.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 7.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1191 6.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6296 5.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 5.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8158 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 7.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 5.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1176 6.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 8.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 8.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 9.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 7.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 7.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1459 8.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2662 8.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1742 9.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4196 5.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5119 4.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2384 5.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1650 5.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9662 7.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4837 7.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0786 6.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6391 6.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6046 6.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0052 7.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4448 7.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8454 8.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 5.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8482 4.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 9.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3580 9.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4482 6.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0185 5.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1029 4.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9790 3.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7709 4.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6866 5.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8104 5.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7263 6.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6470 3.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0633 2.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 3.5167 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 1 0 0 0 0 3 26 2 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 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 6 40 1 0 0 0 0 44 50 1 0 0 0 49 43 1 0 0 0 43 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 47 41 1 1 0 0 48 42 1 6 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 1 0 0 56 42 1 1 0 0 57 51 1 6 0 0 58 52 1 1 0 0 59 53 1 1 0 0 70 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 1 0 0 66 53 1 6 0 0 67 62 1 6 0 0 68 63 1 1 0 0 69 64 1 1 0 0 76 81 1 0 0 0 80 75 1 0 0 0 75 77 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 1 1 0 0 77 64 1 1 0 0 78 73 1 1 0 0 79 74 1 1 0 0 72 82 1 0 0 0 82 83 1 0 0 0 92 87 1 0 0 0 87 88 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 1 0 0 88 73 1 1 0 0 89 84 1 6 0 0 90 85 1 1 0 0 91 86 1 1 0 0 82 94 2 0 0 0 46 95 1 6 0 0 71 96 1 0 0 0 45 40 1 1 0 0 93 97 1 0 0 0 98 72 1 6 0 0 77 98 1 0 0 0 98 78 1 0 0 0 99100 1 0 0 0 100101 1 0 0 0 101102 1 0 0 0 102103 1 0 0 0 103104 1 0 0 0 104 99 1 0 0 0 104105 1 1 0 0 102106 1 6 0 0 101107 1 6 0 0 100108 1 6 0 0 99 85 1 1 0 0 M END > LMSP0502BM01 > > Fucalpha2-3Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C72H130N2O32 > 1534.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260468 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0502BM01 $$$$