LMSP0601DU04 LIPID_MAPS_STRUCTURE_DATABASE 135140 0 0 0 0 0 0 0 0999 V2000 0.2719 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4688 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 -0.3452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8629 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5829 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3029 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0229 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4629 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1829 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9029 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6229 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3429 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0629 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7829 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5029 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2229 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9429 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6629 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3829 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1029 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8229 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5429 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2629 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1889 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6289 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0689 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7889 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5089 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2289 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9489 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6689 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3889 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1089 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8289 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5489 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1426 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 4.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 4.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5647 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5646 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5646 5.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9717 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0646 2.7259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2718 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5646 5.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5646 6.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7218 2.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9808 1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5718 2.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7719 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7718 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7718 3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1789 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2719 1.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4790 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2718 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7718 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7718 5.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4790 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4790 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3664 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2537 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2537 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1404 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0272 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9139 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2728 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4626 2.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7921 2.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3664 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1411 -0.2253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.1404 2.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.0272 0.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.8006 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3664 1.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2537 2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1411 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8322 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3251 -1.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5646 7.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0862 6.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1108 6.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6137 7.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0922 8.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5948 9.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6187 9.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1213 10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0646 7.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2282 7.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2645 8.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6324 5.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6384 7.4203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0736 10.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1399 8.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1451 10.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0676 8.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5710 9.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0965 6.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8823 6.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5723 5.9290 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 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 25 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 3 32 2 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 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 47 48 1 0 49 48 1 0 50 49 1 0 50 51 1 0 51 52 1 1 51 56 1 0 47 56 1 0 48 53 1 6 49 54 1 1 50 55 1 6 52 57 1 0 47 46 1 1 58 59 1 0 60 59 1 0 61 60 1 0 61 62 1 0 62 63 1 1 62 67 1 0 58 67 1 0 59 64 1 6 60 65 1 1 61 66 1 1 63 68 1 0 58 55 1 1 69 70 1 0 71 70 1 0 72 71 1 0 72 73 1 0 73 74 1 1 73 78 1 0 69 78 1 0 70 75 1 6 71 76 1 1 72 77 1 6 74 79 1 0 75 80 1 0 80 81 1 0 80 82 2 0 69 65 1 1 83 84 1 0 85 84 1 0 86 85 1 0 86 87 1 0 87 88 1 1 87 92 1 0 83 92 1 0 84 89 1 6 85 90 1 1 86 91 1 1 88 93 1 0 83 76 1 1 102103 2 0 102104 1 0 94102 1 1 95 94 1 0 95 96 1 0 94110 1 0 96 97 1 0 97 98 1 0 98 99 1 0 98110 1 0 99100 1 0 100101 1 0 96105 1 6 97106 1 1 99107 1 1 100108 1 6 101109 1 0 98111 1 1 106112 1 0 112113 1 0 112114 2 0 94 90 1 6 123124 2 0 123125 1 0 115123 1 1 116115 1 0 116117 1 0 115131 1 0 117118 1 0 118119 1 0 119120 1 0 119131 1 0 120121 1 0 121122 1 0 117126 1 6 118127 1 1 120128 1 1 121129 1 6 122130 1 0 119132 1 1 127133 1 0 133134 1 0 133135 2 0 115 79 1 6 M END > LMSP0601DU04 > > NeuAcalpha2-3Galbeta1-3(NeuAcalpha2-6)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C88H156N4O39 > 1893.03 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > - > - > - > - > - > - > - > - > - > 44262711 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0601DU04 $$$$