LMSP0601BL04 LIPID_MAPS_STRUCTURE_DATABASE 159165 0 0 0 999 V2000 22.6825 -0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7210 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7592 -0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2384 -1.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1266 -1.7996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6442 -0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1194 -2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1194 -3.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1578 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2444 0.6222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1850 0.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1893 -2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2201 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2508 -2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2817 -1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3126 -2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7896 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8205 -0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8513 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8822 -0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9128 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9439 -0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9746 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0053 -0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3126 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0053 -1.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9435 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8816 -1.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8196 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 -1.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6957 -2.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2599 -4.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2074 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1547 -4.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1021 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0494 -4.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9968 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 -4.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8915 -3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6510 2.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0938 3.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1756 3.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5035 3.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7494 4.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6677 4.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8695 5.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9296 2.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5526 3.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0772 5.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3400 4.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6182 5.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6021 3.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6021 2.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7584 2.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9151 2.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9150 3.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0720 4.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2290 3.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3862 4.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7981 4.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5684 4.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3045 4.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7584 1.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0714 2.2977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0720 5.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4481 2.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7584 4.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9150 4.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0714 1.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4144 1.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8471 1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4472 2.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4473 1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6038 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7602 1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7602 2.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9172 3.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0742 2.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2312 3.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6434 3.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4136 3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1497 3.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 1.2749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9172 4.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 3.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7602 3.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 0.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3861 5.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1962 1.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2456 1.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7702 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8586 4.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6715 1.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5733 1.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7809 2.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2312 4.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 1.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2456 4.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1962 3.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2456 3.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6715 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7863 8.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9388 7.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0967 8.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2492 7.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2410 6.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0830 6.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6183 9.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9332 6.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1025 9.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4072 8.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3934 6.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5526 6.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7038 6.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5606 7.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6671 7.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9405 8.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9572 10.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5509 9.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7578 11.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5455 8.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6753 8.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8106 8.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8189 9.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6891 10.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6973 11.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 0.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6923 0.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9423 8.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9424 7.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0989 6.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2553 7.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2553 8.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4123 8.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5693 8.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7263 8.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1385 8.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9087 9.1838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6448 9.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4117 6.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4123 9.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0988 8.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2553 9.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4117 6.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7547 5.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7263 9.7840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4561 7.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0988 5.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1874 5.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 4.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 5.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4991 4.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 -3.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5362 -3.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 -4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4309 -3.5823 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 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 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 1 0 0 46 51 1 0 0 0 60 61 2 0 0 0 60 62 1 0 0 0 52 60 1 1 0 0 53 52 1 0 0 0 53 54 1 0 0 0 52 67 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 56 67 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 54 63 1 6 0 0 55 64 1 1 0 0 57 65 1 1 0 0 58 66 1 6 0 0 56 68 1 1 0 0 64 69 1 0 0 0 69 70 1 0 0 0 69 71 2 0 0 0 52 48 1 6 0 0 80 81 2 0 0 0 80 82 1 0 0 0 72 80 1 1 0 0 73 72 1 0 0 0 73 74 1 0 0 0 72 85 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 76 85 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 75 83 1 1 0 0 77 84 1 1 0 0 76 86 1 1 0 0 83 87 1 0 0 0 87 88 1 0 0 0 59 89 1 0 0 0 72 66 1 6 0 0 91 90 1 0 0 0 92 91 1 0 0 0 90 94 1 6 0 0 91 95 1 1 0 0 41 96 1 1 0 0 79 97 1 0 0 0 92 96 1 6 0 0 78 98 1 6 0 0 93 99 1 0 0 0 101100 1 0 0 0 92101 1 0 0 0 101 93 1 1 0 0 102 90 1 0 0 0 102100 1 0 0 0 105111 1 1 0 0 106112 1 1 0 0 107113 1 6 0 0 108 49 1 1 0 0 104103 1 1 0 0 105104 1 0 0 0 106105 1 0 0 0 107106 1 0 0 0 108107 1 0 0 0 110108 1 0 0 0 104110 1 0 0 0 109103 1 0 0 0 113114 1 0 0 0 114115 2 0 0 0 114116 1 0 0 0 121127 1 0 0 0 126120 1 0 0 0 120122 1 0 0 0 122123 1 0 0 0 123124 1 0 0 0 124125 1 0 0 0 125126 1 0 0 0 126127 1 1 0 0 122112 1 1 0 0 123117 1 6 0 0 124118 1 1 0 0 125119 1 1 0 0 87129 2 0 0 0 74128 1 6 0 0 138139 2 0 0 0 138140 1 0 0 0 130138 1 1 0 0 131130 1 0 0 0 131132 1 0 0 0 130143 1 0 0 0 132133 1 0 0 0 133134 1 0 0 0 134135 1 0 0 0 134143 1 0 0 0 135136 1 0 0 0 136137 1 0 0 0 133141 1 1 0 0 135142 1 1 0 0 134144 1 1 0 0 141145 1 0 0 0 145146 1 0 0 0 137147 1 0 0 0 136148 1 6 0 0 145150 2 0 0 0 132149 1 6 0 0 130118 1 6 0 0 102 40 1 1 0 0 97151 1 0 0 0 151152 1 0 0 0 151153 2 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 158159 1 0 0 0 0 39154 1 0 0 0 0 M END > LMSP0601BL04 > 9-O-acetyl GTb1(d18:1/22:0) > NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(9-OAc-NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C101H175N5O48 > 2226.14 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > - > - > - > - > - > - > - > - > - > 44262263 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0601BL04 $$$$