LMSP0601CT07 LIPID_MAPS_STRUCTURE_DATABASE 158164 0 0 0 999 V2000 35.7541 10.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8010 11.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8476 10.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3053 9.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.2031 9.9557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.7077 11.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2047 9.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2047 8.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2515 9.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3199 12.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2697 12.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.2914 9.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3305 9.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3698 9.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4090 9.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4484 9.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8865 11.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9257 10.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9650 11.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0042 10.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0434 11.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0828 10.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1219 11.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1611 10.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4484 8.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1611 9.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1085 9.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0558 9.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0030 9.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9503 9.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8976 9.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4049 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3615 8.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3179 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2743 8.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2309 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1873 8.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1439 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1003 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0568 8.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0134 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9698 8.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9262 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8828 8.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8392 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7958 8.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7522 7.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7143 14.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9328 14.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4560 13.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5021 13.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0256 14.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5023 15.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1139 15.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9329 12.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8274 12.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0714 14.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4562 15.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5022 16.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3190 13.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3652 13.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8882 14.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9769 15.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7959 12.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6906 12.9352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8956 14.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3652 16.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3190 15.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3652 15.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7959 14.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2174 17.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9568 16.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0088 16.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7478 15.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4366 14.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3845 15.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4161 18.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6438 16.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3215 17.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7998 15.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1756 13.9453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2283 13.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9670 12.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5417 14.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7838 13.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7878 15.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2995 16.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8152 16.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7980 15.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2900 14.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2832 14.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7894 15.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2977 16.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8037 17.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5477 13.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2932 13.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0402 12.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0962 12.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4051 13.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6580 14.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9674 15.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0240 14.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3334 15.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6395 14.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4534 14.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2810 15.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8432 11.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4610 13.1523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2202 15.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9967 13.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6019 14.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9108 15.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2388 12.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5093 12.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9043 11.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5803 16.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8727 14.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7029 13.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7845 12.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0359 13.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2056 14.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4574 15.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5397 14.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7913 15.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1715 14.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9778 14.9452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7641 15.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1174 13.2588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6271 16.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1240 14.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3751 15.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9683 12.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2571 12.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9614 16.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2956 14.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6147 12.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6768 11.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4092 18.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9960 17.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0225 17.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4621 18.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8750 19.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3147 20.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3419 20.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7814 21.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8430 19.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6535 19.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5898 19.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4882 18.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7276 21.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8486 19.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2876 20.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1254 17.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3770 17.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1953 21.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9172 19.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6092 16.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6896 17.1915 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 2 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 0 0 0 49 50 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 53 58 1 0 0 0 49 58 1 0 0 0 50 55 1 6 0 0 51 56 1 1 0 0 52 57 1 1 0 0 54 59 1 0 0 0 61 60 1 0 0 0 62 61 1 0 0 0 60 64 1 6 0 0 61 65 1 1 0 0 49 66 1 1 0 0 62 66 1 6 0 0 63 67 1 0 0 0 69 68 1 0 0 0 62 69 1 0 0 0 69 63 1 1 0 0 70 60 1 0 0 0 70 68 1 0 0 0 73 79 1 1 0 0 74 80 1 1 0 0 75 81 1 6 0 0 76 57 1 1 0 0 72 71 1 1 0 0 73 72 1 0 0 0 74 73 1 0 0 0 75 74 1 0 0 0 76 75 1 0 0 0 78 76 1 0 0 0 72 78 1 0 0 0 77 71 1 0 0 0 81 82 1 0 0 0 82 83 2 0 0 0 82 84 1 0 0 0 88 94 1 0 0 0 93 87 1 0 0 0 87 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 0 0 0 93 94 1 1 0 0 89 80 1 1 0 0 90 85 1 6 0 0 92 86 1 1 0 0 104105 2 0 0 0 104106 1 0 0 0 96104 1 1 0 0 97 96 1 0 0 0 97 98 1 0 0 0 96111 1 0 0 0 98 99 1 0 0 0 99100 1 0 0 0 100101 1 0 0 0 100111 1 0 0 0 101102 1 0 0 0 102103 1 0 0 0 98107 1 6 0 0 99108 1 1 0 0 101109 1 1 0 0 102110 1 6 0 0 100112 1 1 0 0 108113 1 0 0 0 113114 1 0 0 0 113115 2 0 0 0 96 95 1 6 0 0 103116 1 0 0 0 125126 2 0 0 0 125127 1 0 0 0 117125 1 1 0 0 118117 1 0 0 0 118119 1 0 0 0 117130 1 0 0 0 119120 1 0 0 0 120121 1 0 0 0 121122 1 0 0 0 121130 1 0 0 0 122123 1 0 0 0 123124 1 0 0 0 120128 1 1 0 0 122129 1 1 0 0 121131 1 1 0 0 128132 1 0 0 0 132133 1 0 0 0 124134 1 0 0 0 123135 1 6 0 0 132137 2 0 0 0 119136 1 6 0 0 117110 1 6 0 0 91 95 1 1 0 0 146147 2 0 0 0 146148 1 0 0 0 138146 1 1 0 0 139138 1 0 0 0 139140 1 0 0 0 138151 1 0 0 0 140141 1 0 0 0 141142 1 0 0 0 142143 1 0 0 0 142151 1 0 0 0 143144 1 0 0 0 144145 1 0 0 0 141149 1 1 0 0 143150 1 1 0 0 142152 1 1 0 0 149153 1 0 0 0 153154 1 0 0 0 145155 1 0 0 0 144156 1 6 0 0 153158 2 0 0 0 140157 1 6 0 0 138 77 1 6 0 0 70 48 1 1 0 0 M END > LMSP0601CT07 > > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3(NeuAcalpha2-6)GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C101H175N5O47 > 2210.15 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > POYRTJPUADGXNJ-WQCVENPQSA-N > InChI=1S/C101H175N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(123)106-58(59(117)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)52-140-93-82(131)80(129)86(67(50-111)143-93)147-94-83(132)81(130)85(68(51-112)144-94)146-92-74(105-57(6)116)87(79(128)69(145-92)53-141-99(96(134)135)43-60(118)71(102-54(3)113)88(150-99)75(124)63(121)46-107)148-95-84(133)91(77(126)65(48-109)142-95)153-101(98(138)139)45-62(120)73(104-56(5)115)90(152-101)78(127)66(49-110)149-100(97(136)137)44-61(119)72(103-55(4)114)89(151-100)76(125)64(122)47-108/h21-22,39,41,58-69,71-95,107-112,117-122,124-133H,7-20,23-38,40,42-53H2,1-6H3,(H,102,113)(H,103,114)(H,104,115)(H,105,116)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/b22-21-,41-39+/t58-,59+,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,71+,72+,73+,74+,75+,76+,77-,78+,79-,80+,81+,82+,83+,84+,85-,86+,87+,88+,89+,90+,91-,92-,93+,94-,95-,99+,100+,101-/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]([C@@H]([C@@H]([C@H]3NC(C)=O)O[C@H]3[C@H](O)[C@@H](O[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](CO)O3)O)CO[C@]3(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-NeuAc(3)-Cer 42:2;O2 > - > - > 44262522 > - > - > - > - > - > - > - $$$$