LMSP0601AK03 LIPID_MAPS_STRUCTURE_DATABASE 108111 0 0 0 999 V2000 17.1680 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2978 -3.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4273 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6711 -5.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6650 -5.1192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0387 -3.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7533 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7533 -6.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7716 -2.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8128 -2.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0332 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3132 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5932 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8732 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1532 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4332 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7132 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9932 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2732 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5532 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8332 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6732 -5.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9532 -5.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7072 -3.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9872 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2672 -3.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5472 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8272 -3.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1072 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3872 -3.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6672 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9472 -3.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2272 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5072 -3.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7872 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0672 -3.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3472 -4.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0387 1.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0387 1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5386 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5387 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0387 1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5387 2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1316 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0386 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8315 -0.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0387 1.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5387 2.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5387 3.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0728 1.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3656 0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3998 1.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1410 2.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8481 2.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 3.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6244 -0.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5337 0.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 2.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8140 2.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2141 4.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5677 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3026 -0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3128 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5883 0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8535 1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1295 2.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1404 1.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9309 1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7842 1.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5549 1.9883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0476 -1.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5985 0.0308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3945 2.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 0.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8432 1.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1185 2.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3656 -0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 -1.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0632 -1.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0516 1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7966 -0.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0722 0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3374 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 2.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 2.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 2.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4148 1.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2681 1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0388 2.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 -1.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 0.3951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 3.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 1.1201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0887 2.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 2.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 -0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0849 -0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 -1.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6753 3.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -5.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -5.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -5.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -5.0956 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 5 1 0 0 0 0 2 9 1 1 0 0 0 2 10 1 6 0 0 0 7 11 1 0 0 0 0 11 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 41 42 1 0 0 0 43 42 1 0 0 0 44 43 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 45 50 1 0 0 0 41 50 1 0 0 0 42 47 1 6 0 0 43 48 1 1 0 0 44 49 1 6 0 0 46 51 1 0 0 0 41 40 1 1 0 0 52 53 1 0 0 0 54 53 1 0 0 0 55 54 1 0 0 0 55 56 1 0 0 0 56 57 1 1 0 0 56 61 1 0 0 0 52 61 1 0 0 0 53 58 1 6 0 0 54 59 1 1 0 0 55 60 1 1 0 0 57 62 1 0 0 0 52 49 1 1 0 0 71 72 2 0 0 0 71 73 1 0 0 0 63 71 1 1 0 0 64 63 1 0 0 0 64 65 1 0 0 0 63 78 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 67 78 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 65 74 1 6 0 0 66 75 1 1 0 0 68 76 1 1 0 0 69 77 1 6 0 0 67 79 1 1 0 0 75 80 1 0 0 0 80 81 1 0 0 0 80 82 2 0 0 0 63 59 1 6 0 0 91 92 2 0 0 0 91 93 1 0 0 0 83 91 1 1 0 0 84 83 1 0 0 0 84 85 1 0 0 0 83 99 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 87 88 1 0 0 0 87 99 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 85 94 1 6 0 0 86 95 1 1 0 0 88 96 1 1 0 0 89 97 1 6 0 0 90 98 1 0 0 0 87100 1 1 0 0 95101 1 0 0 0 101102 1 0 0 0 101103 2 0 0 0 70104 1 0 0 0 83 77 1 6 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 25105 1 0 0 0 0 M END > LMSP0601AK03 > GD3(d18:1/20:0) > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C72H129N3O29 > 1499.87 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > - > - > - > - > - > - > SLM:000487070 > - > - > 44262046 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0601AK03 $$$$