LMSP0601ET01 LIPID_MAPS_STRUCTURE_DATABASE 150156 0 0 0 999 V2000 43.1224 12.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1583 12.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1939 12.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6799 11.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.5651 11.4584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.0870 12.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5550 10.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5550 9.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5907 11.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6832 13.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.6207 13.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.6194 10.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6476 11.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6756 10.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7038 11.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7319 10.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2216 12.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2496 12.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2777 12.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3057 12.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3337 12.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3621 12.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3901 12.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4181 12.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7319 9.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4181 11.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3531 10.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2884 11.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2234 10.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1583 11.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0935 10.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6763 9.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6207 9.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5651 9.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5095 9.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4539 9.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3982 9.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3425 9.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2869 9.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0687 16.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.9976 18.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.4788 19.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.6268 17.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2094 18.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.8211 15.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.8219 18.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8210 18.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0154 17.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0152 16.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8209 16.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6266 16.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4460 16.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2750 16.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8794 17.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8099 17.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.2215 14.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2750 14.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5008 17.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4143 16.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8794 15.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8099 15.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7524 18.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1609 14.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7587 14.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4018 14.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2274 18.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0530 17.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4024 18.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4018 15.7288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0530 14.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5873 18.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8242 18.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0704 17.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7524 17.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5773 17.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4024 17.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2274 17.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2275 16.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0531 15.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8787 16.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8787 17.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2808 17.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9773 19.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8957 18.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5281 15.2274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.3723 17.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6602 19.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3671 16.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5363 16.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7105 16.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7187 17.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5496 18.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5571 19.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1898 16.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6896 13.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8745 15.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6976 14.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3858 15.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9835 15.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6267 15.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4522 19.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2779 18.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6273 19.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6267 16.6786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2779 15.7252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8122 19.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0491 18.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2952 18.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9773 18.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8021 18.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6273 18.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4522 18.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4523 17.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2780 16.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1035 17.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1035 18.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3507 18.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2475 20.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2397 19.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3879 19.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3800 18.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2261 18.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0777 18.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3282 21.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0830 19.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5447 19.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2180 17.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8474 16.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2676 17.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0925 15.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6761 13.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2739 13.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9170 13.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7426 17.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5682 16.5505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9176 17.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9170 14.6440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5682 13.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1025 17.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3394 16.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5856 16.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2676 16.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0925 16.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9176 16.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7426 16.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7427 15.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5683 14.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3939 15.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3939 16.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7960 16.1472 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 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 58 41 1 0 0 0 49 94 1 1 0 0 51 52 1 1 0 0 46 42 1 0 0 0 48 44 1 1 0 0 50 45 1 6 0 0 51 43 1 0 0 0 47 43 1 0 0 0 47 46 1 1 0 0 48 47 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 51 50 1 0 0 0 59 52 1 6 0 0 53 55 1 0 0 0 53 61 1 0 0 0 54 58 1 1 0 0 59 54 1 0 0 0 54 55 1 0 0 0 60 56 1 1 0 0 61 57 1 6 0 0 59 60 1 0 0 0 60 61 1 0 0 0 110 82 1 6 0 0 74 62 1 0 0 0 81 82 1 6 0 0 65 63 2 0 0 0 65 64 1 0 0 0 69 65 1 0 0 0 77 66 1 1 0 0 76 68 1 1 0 0 78 69 1 1 0 0 79 70 1 6 0 0 75 74 1 0 0 0 76 75 1 0 0 0 77 67 1 0 0 0 77 76 1 0 0 0 78 77 1 0 0 0 79 78 1 0 0 0 81 67 1 0 0 0 80 79 1 0 0 0 80 81 1 0 0 0 81 73 1 1 0 0 73 71 1 0 0 0 73 72 2 0 0 0 109 83 1 0 0 0 91 84 1 1 0 0 85 97 1 0 0 0 87 93 1 0 0 0 92 86 1 0 0 0 86 88 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 1 0 0 88 94 1 1 0 0 89 85 1 6 0 0 97 95 2 0 0 0 97 96 1 0 0 0 121117 1 1 0 0 116117 1 6 0 0 100 98 2 0 0 0 100 99 1 0 0 0 104100 1 0 0 0 112101 1 1 0 0 111103 1 1 0 0 113104 1 1 0 0 114105 1 6 0 0 110109 1 0 0 0 111110 1 0 0 0 112102 1 0 0 0 112111 1 0 0 0 113112 1 0 0 0 114113 1 0 0 0 116102 1 0 0 0 115114 1 0 0 0 115116 1 0 0 0 116108 1 1 0 0 108106 1 0 0 0 108107 2 0 0 0 120126 1 1 0 0 122127 1 6 0 0 119118 1 1 0 0 120119 1 0 0 0 121120 1 0 0 0 122121 1 0 0 0 123122 1 0 0 0 125123 1 0 0 0 119125 1 0 0 0 124118 1 0 0 0 123 84 1 1 0 0 90128 1 1 0 0 142129 1 0 0 0 143130 1 6 0 0 149150 1 6 0 0 133131 2 0 0 0 133132 1 0 0 0 137133 1 0 0 0 145134 1 1 0 0 144136 1 1 0 0 146137 1 1 0 0 147138 1 6 0 0 143142 1 0 0 0 144143 1 0 0 0 145135 1 0 0 0 145144 1 0 0 0 146145 1 0 0 0 147146 1 0 0 0 149135 1 0 0 0 148147 1 0 0 0 148149 1 0 0 0 149141 1 1 0 0 141139 1 0 0 0 141140 2 0 0 0 75150 1 6 0 0 53 40 1 1 0 0 M END > LMSP0601ET01 > > NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C93H161N5O47 > 2100.04 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > MYJOBIYLFOMQSE-LNCGQOJLSA-N > InChI=1S/C93H161N5O47/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-51(110)50(98-62(115)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-132-85-74(123)73(122)78(61(44-105)136-85)138-86-75(124)82(68(117)56(39-100)133-86)139-84-66(97-49(6)109)72(121)77(60(43-104)135-84)137-87-76(125)83(69(118)57(40-101)134-87)145-93(90(130)131)37-54(113)65(96-48(5)108)81(144-93)71(120)59(42-103)141-92(89(128)129)36-53(112)64(95-47(4)107)80(143-92)70(119)58(41-102)140-91(88(126)127)35-52(111)63(94-46(3)106)79(142-91)67(116)55(114)38-99/h31,33,50-61,63-87,99-105,110-114,116-125H,7-30,32,34-45H2,1-6H3,(H,94,106)(H,95,107)(H,96,108)(H,97,109)(H,98,115)(H,126,127)(H,128,129)(H,130,131)/b33-31+/t50-,51+,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67+,68-,69-,70+,71+,72+,73+,74+,75+,76+,77-,78+,79+,80+,81+,82-,83-,84-,85+,86-,87-,91+,92+,93-/m0/s1 > [C@](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H]([C@@H](CO)O1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O[C@]1(C(=O)O)C[C@@H]([C@H]([C@]([C@@H]([C@@H](CO)O[C@]2(C(=O)O)C[C@@H]([C@H]([C@]([C@@H]([C@H](O[C@]3(C(=O)O)C[C@@H]([C@H]([C@]([C@@H]([C@@H](CO)O)O)(O3)[H])NC(C)=O)O)CO)O)(O2)[H])NC(C)=O)O)O)(O1)[H])NC(C)=O)O)O)CO)O)O)O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-NeuAc(3)-Cer 34:1;O2 > - > - > 178333789 > - > - > - > - > - > - > - $$$$