LMSP0502BM02 LIPID_MAPS_STRUCTURE_DATABASE 110115 0 0 0 999 V2000 18.2176 4.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3034 2.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3401 4.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7546 5.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3561 5.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2408 4.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7570 3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7870 3.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3056 4.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7892 5.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3076 6.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3609 2.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4257 2.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4744 4.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8946 5.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 5.8987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3748 4.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8852 3.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9152 3.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4397 4.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9293 5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4536 6.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4950 2.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5598 2.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6084 4.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0288 5.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5089 4.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0194 3.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0494 3.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5738 4.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 5.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5877 6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 3.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 4.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 6.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9107 5.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 7.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8209 4.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1513 5.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2434 6.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1232 6.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 7.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9697 3.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8774 2.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 3.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 3.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 5.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9054 5.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 4.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 4.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 4.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3838 5.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9443 5.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 6.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 3.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2386 2.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0007 6.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 7.5108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9412 4.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6296 2.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5902 1.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3821 2.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 3.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 3.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3374 4.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6745 0.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 1.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4370 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5660 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6946 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9404 -0.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9333 -0.1523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3084 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0209 -0.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0209 -1.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1499 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2723 -0.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3943 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5162 -0.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6383 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7601 -0.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0041 -0.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1260 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2481 -0.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3699 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4919 -0.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6139 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8161 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9381 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0601 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1820 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3040 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4259 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5479 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6698 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7918 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0357 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1577 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0804 2.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0401 2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9934 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1258 -0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 10 4 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 1 0 0 8 2 1 1 0 0 9 3 1 6 0 0 16 22 1 0 0 0 21 15 1 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 1 0 0 17 3 1 1 0 0 18 12 1 6 0 0 19 13 1 1 0 0 20 14 1 1 0 0 31 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 27 14 1 6 0 0 28 23 1 6 0 0 29 24 1 1 0 0 30 25 1 1 0 0 37 42 1 0 0 0 41 36 1 0 0 0 36 38 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 1 0 0 38 25 1 1 0 0 39 34 1 1 0 0 40 35 1 1 0 0 33 43 1 0 0 0 43 44 1 0 0 0 53 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 49 34 1 1 0 0 50 45 1 6 0 0 51 46 1 1 0 0 52 47 1 1 0 0 43 55 2 0 0 0 7 56 1 6 0 0 32 57 1 0 0 0 6 1 1 1 0 0 54 58 1 0 0 0 59 33 1 6 0 0 38 59 1 0 0 0 59 39 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 60 1 0 0 0 65 66 1 1 0 0 63 67 1 6 0 0 62 68 1 6 0 0 61 69 1 6 0 0 60 46 1 1 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 70 74 1 6 0 0 0 70 73 1 1 0 0 0 75 70 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 76 74 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 72 93 2 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 71107 1 6 0 0 0 71108 1 1 0 0 0 75 1 1 0 0 0 0 92109 1 0 0 0 109110 1 0 0 0 M END > LMSP0502BM02 > > Fucalpha2-3Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C74H134N2O32 > 1562.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260469 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0502BM02 $$$$