LMSP0601CS04 LIPID_MAPS_STRUCTURE_DATABASE 156162 0 0 0 999 V2000 22.3076 -5.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3884 -4.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4692 -5.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8389 -6.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7762 -6.0783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2270 -4.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8134 -6.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8134 -7.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8943 -6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8888 -3.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8761 -3.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9684 -6.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0420 -6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1155 -6.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1892 -6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2629 -6.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5423 -4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6160 -5.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6895 -4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7630 -5.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8364 -4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9104 -5.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9838 -4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0574 -5.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2629 -7.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0574 -6.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0422 -6.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0271 -6.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 -6.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9969 -6.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 -6.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2566 -8.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2505 -7.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2442 -8.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2381 -7.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2319 -8.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2255 -7.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2193 -8.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2132 -7.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 -0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3021 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8146 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8402 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3528 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8402 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4435 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3020 -2.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1510 -2.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3783 -0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8147 0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8402 1.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4035 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9162 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9417 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4545 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9417 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5449 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4034 -2.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2524 -2.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4798 -0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9163 0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9417 1.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5052 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0178 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0432 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5559 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0432 0.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6465 0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5052 -2.5149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3540 -2.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5813 -0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0178 0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0432 1.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8647 -3.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5869 -3.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0362 -3.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3793 -2.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8920 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4302 -2.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 -1.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5206 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3792 -4.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2282 -3.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4555 -2.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8921 -1.5159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 -3.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 -4.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3887 -5.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 -4.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 -3.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6598 -3.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 -3.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9312 -3.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4546 -3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2443 -3.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9485 -2.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3171 -6.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 -5.3911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6598 -2.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 -4.8911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -3.8932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3887 -3.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 -2.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 -6.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 -6.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4543 -6.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0687 2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5602 1.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5616 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0716 2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5797 2.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0900 3.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 3.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6021 4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5559 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3711 2.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3610 3.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0534 0.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0729 2.0603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5980 4.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6043 4.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 2.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0877 3.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6263 1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8604 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1372 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5658 -0.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2629 2.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 3.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6501 2.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6829 2.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9844 2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 3.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 4.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 4.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8899 4.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 3.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1105 3.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 4.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4143 1.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 2.6022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 5.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3198 3.3160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9234 4.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 4.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 4.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4554 1.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2374 -8.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -7.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 -8.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -7.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -8.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 -7.7457 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 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 63 64 1 0 0 0 65 64 1 0 0 0 66 65 1 0 0 0 66 67 1 0 0 0 67 68 1 1 0 0 67 72 1 0 0 0 63 72 1 0 0 0 64 69 1 6 0 0 65 70 1 1 0 0 66 71 1 1 0 0 68 73 1 0 0 0 69 74 1 0 0 0 74 75 1 0 0 0 74 76 2 0 0 0 63 60 1 1 0 0 77 78 1 0 0 0 79 78 1 0 0 0 80 79 1 0 0 0 80 81 1 0 0 0 81 82 1 1 0 0 81 86 1 0 0 0 77 86 1 0 0 0 78 83 1 6 0 0 79 84 1 1 0 0 80 85 1 1 0 0 77 70 1 1 0 0 95 96 2 0 0 0 95 97 1 0 0 0 87 95 1 1 0 0 88 87 1 0 0 0 88 89 1 0 0 0 87103 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 91103 1 0 0 0 92 93 1 0 0 0 93 94 1 0 0 0 89 98 1 6 0 0 90 99 1 1 0 0 92100 1 1 0 0 93101 1 6 0 0 94102 1 0 0 0 91104 1 1 0 0 99105 1 0 0 0 105106 1 0 0 0 105107 2 0 0 0 87 84 1 6 0 0 116117 2 0 0 0 116118 1 0 0 0 108116 1 1 0 0 109108 1 0 0 0 109110 1 0 0 0 108123 1 0 0 0 110111 1 0 0 0 111112 1 0 0 0 112113 1 0 0 0 112123 1 0 0 0 113114 1 0 0 0 114115 1 0 0 0 110119 1 6 0 0 111120 1 1 0 0 113121 1 1 0 0 115122 1 0 0 0 112124 1 1 0 0 120125 1 0 0 0 125126 1 0 0 0 125127 2 0 0 0 108 73 1 6 0 0 82128 1 0 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 130146 1 0 0 0 132133 1 0 0 0 133134 1 0 0 0 134135 1 0 0 0 134146 1 0 0 0 135136 1 0 0 0 136137 1 0 0 0 132141 1 6 0 0 133142 1 1 0 0 135143 1 1 0 0 136144 1 6 0 0 137145 1 0 0 0 134147 1 1 0 0 142148 1 0 0 0 148149 1 0 0 0 148150 2 0 0 0 130129 1 6 0 0 114129 1 6 0 0 6 40 1 0 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 153154 1 0 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 39151 1 0 0 0 0 M END > LMSP0601CS04 > > NeuAcalpha2-3Galbeta1-3(NeuAcalpha2-8NeuAcalpha2-6)GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C99H173N5O47 > 2184.13 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > ROSARLFQBDWSEG-NZTJSZLTSA-N > InChI=1S/C99H173N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(121)104-56(57(115)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)50-138-91-80(129)78(127)84(65(48-109)141-91)145-92-81(130)79(128)83(66(49-110)142-92)144-90-72(103-55(6)114)85(146-93-82(131)89(75(124)63(46-107)140-93)151-99(96(136)137)43-60(118)70(101-53(4)112)87(150-99)74(123)62(120)45-106)77(126)67(143-90)51-139-97(94(132)133)41-58(116)71(102-54(5)113)88(148-97)76(125)64(47-108)147-98(95(134)135)42-59(117)69(100-52(3)111)86(149-98)73(122)61(119)44-105/h37,39,56-67,69-93,105-110,115-120,122-131H,7-36,38,40-51H2,1-6H3,(H,100,111)(H,101,112)(H,102,113)(H,103,114)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/b39-37+/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,69+,70+,71+,72+,73+,74+,75-,76+,77-,78+,79+,80+,81+,82+,83-,84+,85+,86+,87+,88+,89-,90-,91+,92-,93-,97+,98+,99-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO[C@]4(O[C@@]([H])([C@H](O)[C@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)[C@H]4O)[C@H]3NC(=O)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-NeuAc(3)-Cer 40:1;O2 > - > - > 44262511 > - > - > - > - > - > - > - $$$$