LMSP0601BQ05 LIPID_MAPS_STRUCTURE_DATABASE 164171 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 -16.9829 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7029 -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 -7.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8574 4.2990 0.0000 N 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 -10.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5146 3.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7736 3.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3646 3.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5647 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 5.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9717 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0647 2.7259 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 -14.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5646 5.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 6.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7719 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7718 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7718 3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1789 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2718 1.1528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.4790 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.2718 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7718 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7718 5.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9290 0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1880 -0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7790 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7719 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7718 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7718 3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1789 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2719 1.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.4790 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.2718 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.7718 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.7718 5.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.4790 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.4790 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.3664 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.2537 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.2537 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.1404 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.0272 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.9139 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.2728 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4626 2.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.7921 2.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.3664 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.1411 -0.2253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -24.1404 2.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.0272 0.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.8006 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.3664 1.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.2537 2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -24.1411 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.8322 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.3251 -1.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.6982 -1.0003 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 -7.0646 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 2.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8393 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8393 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 4.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6128 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4995 4.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8584 5.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0482 5.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3777 5.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 1.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7267 2.9209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 5.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6128 3.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3862 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 4.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8393 5.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7267 2.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4178 1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9107 1.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2838 2.1459 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 49 50 1 0 51 50 1 0 52 51 1 0 52 53 1 0 53 54 1 1 53 58 1 0 49 58 1 0 50 55 1 6 51 56 1 1 52 57 1 6 54 59 1 0 49 48 1 1 60 61 1 0 62 61 1 0 63 62 1 0 63 64 1 0 64 65 1 1 64 69 1 0 60 69 1 0 61 66 1 6 62 67 1 1 63 68 1 1 65 70 1 0 60 57 1 1 71 72 1 0 73 72 1 0 74 73 1 0 74 75 1 0 75 76 1 1 75 80 1 0 71 80 1 0 72 77 1 6 73 78 1 1 74 79 1 1 76 81 1 0 77 82 1 0 82 83 1 0 82 84 2 0 71 68 1 1 85 86 1 0 87 86 1 0 88 87 1 0 88 89 1 0 89 90 1 1 89 94 1 0 85 94 1 0 86 91 1 6 87 92 1 1 88 93 1 1 90 95 1 0 85 78 1 1 96 97 1 0 98 97 1 0 99 98 1 0 99100 1 0 100101 1 1 100105 1 0 96105 1 0 97102 1 6 98103 1 1 99104 1 6 101106 1 0 102107 1 0 107108 1 0 107109 2 0 96 92 1 1 110111 1 0 112111 1 0 113112 1 0 113114 1 0 114115 1 1 114119 1 0 110119 1 0 111116 1 6 112117 1 1 113118 1 1 115120 1 0 110104 1 1 129130 2 0 129131 1 0 121129 1 1 122121 1 0 122123 1 0 121137 1 0 123124 1 0 124125 1 0 125126 1 0 125137 1 0 126127 1 0 127128 1 0 123132 1 6 124133 1 1 126134 1 1 127135 1 6 128136 1 0 125138 1 1 133139 1 0 139140 1 0 139141 2 0 140142 1 0 121117 1 6 151152 2 0 151153 1 0 143151 1 1 144143 1 0 144145 1 0 143159 1 0 145146 1 0 146147 1 0 147148 1 0 147159 1 0 148149 1 0 149150 1 0 145154 1 6 146155 1 1 148156 1 1 149157 1 6 150158 1 0 147160 1 1 155161 1 0 161162 1 0 161163 2 0 162164 1 0 143 67 1 6 M END > LMSP0601BQ05 > > NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C104H183N5O51 > 2318.19 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > - > - > - > - > - > - > - > - > - > 44262304 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0601BQ05 $$$$