LMSP0504BJ06 LIPID_MAPS_STRUCTURE_DATABASE 171180 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 -18.4229 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1429 -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 -13.9791 0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9790 0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4790 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9790 2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3861 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4790 -0.4203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.6862 -0.2614 0.0000 O 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 -13.9790 2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9790 3.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1362 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3952 -1.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9862 -1.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.6862 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1863 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1862 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6862 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1862 0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5933 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6863 -1.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.8934 -1.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.6862 -0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1862 0.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.1862 2.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.8934 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3935 -2.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.3934 -2.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.8934 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.3934 -0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.8005 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8934 -3.5665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -22.1006 -3.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.8934 -1.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.3934 -0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.3934 0.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.5506 -4.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8096 -4.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.4006 -4.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7718 5.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6431 5.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5037 5.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4933 6.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6221 7.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6125 8.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6535 4.3242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.4724 5.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3540 7.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7613 6.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9022 8.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5282 4.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1831 3.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2471 4.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4724 5.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9725 4.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9724 4.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4724 5.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9724 6.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3795 7.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4725 3.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.6796 4.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.4724 5.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9724 6.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.9724 7.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4725 2.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6065 2.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6065 1.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4725 0.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3385 1.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0456 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7405 2.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8994 0.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4725 -0.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3385 2.3525 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 51 52 1 0 53 52 1 0 54 53 1 0 54 55 1 0 55 56 1 1 55 60 1 0 51 60 1 0 52 57 1 6 53 58 1 1 54 59 1 6 56 61 1 0 51 50 1 1 62 63 1 0 64 63 1 0 65 64 1 0 65 66 1 0 66 67 1 1 66 71 1 0 62 71 1 0 63 68 1 6 64 69 1 1 65 70 1 1 67 72 1 0 62 59 1 1 73 74 1 0 75 74 1 0 76 75 1 0 76 77 1 0 77 78 1 1 77 82 1 0 73 82 1 0 74 79 1 6 75 80 1 1 76 81 1 6 78 83 1 0 79 84 1 0 84 85 1 0 84 86 2 0 73 69 1 1 87 88 1 0 89 88 1 0 90 89 1 0 90 91 1 0 91 92 1 1 91 96 1 0 87 96 1 0 88 93 1 6 89 94 1 1 90 95 1 1 92 97 1 0 87 80 1 1 98 99 1 0 100 99 1 0 101100 1 0 101102 1 0 102103 1 1 102107 1 0 98107 1 0 99104 1 6 100105 1 1 101106 1 6 103108 1 0 104109 1 0 109110 1 0 109111 2 0 98 94 1 1 112113 1 0 114113 1 0 115114 1 0 115116 1 0 116117 1 1 116121 1 0 112121 1 0 113118 1 6 114119 1 1 115120 1 1 117122 1 0 112105 1 1 123124 1 0 125124 1 0 126125 1 0 126127 1 0 127128 1 1 127132 1 0 123132 1 0 124129 1 6 125130 1 1 126131 1 1 128133 1 0 129134 1 0 134135 1 0 134136 2 0 123119 1 6 137138 1 0 139138 1 0 140139 1 0 140141 1 0 141142 1 1 141146 1 0 137146 1 0 138143 1 6 139144 1 1 140145 1 6 142147 1 0 143148 1 0 148149 1 0 148150 2 0 137 97 1 1 151152 1 0 153152 1 0 154153 1 0 154155 1 0 155156 1 1 155160 1 0 151160 1 0 152157 1 6 153158 1 1 154159 1 1 156161 1 0 151144 1 1 162163 1 0 164163 1 0 165164 1 0 165166 1 0 166167 1 1 166171 1 0 162171 1 0 163168 1 1 164169 1 6 165170 1 6 162157 1 6 M END > LMSP0504BJ06 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C112H199N5O52 > 2446.31 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260889 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0504BJ06 $$$$