LMSP0601AR01 LIPID_MAPS_STRUCTURE_DATABASE 150156 0 0 0 999 V2000 29.4200 9.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4628 10.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5052 9.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9735 8.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8665 8.6998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.3777 10.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8639 8.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8639 7.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9065 8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9839 11.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9291 11.1320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9421 8.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9772 8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0123 8.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0473 8.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0826 8.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5400 10.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5749 9.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6101 10.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6452 9.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6801 10.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7154 9.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7503 10.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7854 9.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0826 6.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7854 8.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7280 8.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6709 8.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6135 8.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5563 8.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4990 8.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0346 6.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9865 6.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9384 6.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8904 6.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8424 6.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7944 6.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7463 6.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6983 6.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3622 13.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8915 14.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9738 14.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3021 14.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5480 15.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4656 16.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6673 16.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7280 13.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3519 14.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8762 16.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1375 15.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4156 17.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4020 14.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4020 13.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5589 13.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7160 13.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7159 14.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8735 15.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0310 14.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1887 15.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5979 15.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3676 15.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1045 15.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5588 12.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8729 13.4427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8735 16.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2506 13.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5588 15.3896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7159 15.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8729 12.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2163 12.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6481 12.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2503 13.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2504 12.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4075 12.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5644 12.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5644 13.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7219 14.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8795 13.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0370 14.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4464 14.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2161 14.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9530 14.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7213 12.4206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7219 15.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4074 14.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5644 14.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7213 11.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0648 11.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1886 16.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9919 12.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0419 12.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5668 13.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6551 15.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4669 12.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3700 12.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5781 13.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0370 15.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0419 15.9582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9920 14.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0419 14.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4669 13.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5841 19.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7372 18.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8956 19.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0487 18.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0404 17.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8819 17.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4163 20.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7316 17.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9014 20.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2072 19.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1934 17.4797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3531 17.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5049 17.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3611 18.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4682 18.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7427 19.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7594 21.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3514 20.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5595 22.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3460 19.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4764 19.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6122 19.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6205 20.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4902 21.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4984 22.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4074 11.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4965 11.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2897 13.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8858 12.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1378 11.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4496 11.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5093 11.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 12.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3176 12.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6298 12.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6902 12.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9194 13.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5957 13.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3235 13.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8209 10.8345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0659 13.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9456 13.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0056 13.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0421 10.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 9.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 13.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 11.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7015 10.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8770 9.8882 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 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 93 98 1 0 0 0 100 99 1 0 0 0 92100 1 0 0 0 100 93 1 1 0 0 101 90 1 0 0 0 101 99 1 0 0 0 104110 1 1 0 0 105111 1 1 0 0 106112 1 6 0 0 107 49 1 1 0 0 103102 1 1 0 0 104103 1 0 0 0 105104 1 0 0 0 106105 1 0 0 0 107106 1 0 0 0 109107 1 0 0 0 103109 1 0 0 0 108102 1 0 0 0 112113 1 0 0 0 113114 2 0 0 0 113115 1 0 0 0 120126 1 0 0 0 125119 1 0 0 0 119121 1 0 0 0 121122 1 0 0 0 122123 1 0 0 0 123124 1 0 0 0 124125 1 0 0 0 125126 1 1 0 0 121111 1 1 0 0 122116 1 6 0 0 123117 1 1 0 0 124118 1 1 0 0 87128 2 0 0 0 74127 1 6 0 0 101 40 1 1 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 130129 1 6 0 0 78129 1 6 0 0 6 40 1 0 0 0 0 M END > LMSP0601AR01 > GT1c(d18:1/16:0) > Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C93H161N5O47 > 2100.04 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > BMGHRZQAPUXJHL-KQNXXKHOSA-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)45-132-85-75(124)73(122)77(60(43-104)135-85)137-87-76(125)83(78(61(44-105)136-87)138-84-66(97-49(6)109)79(69(118)57(40-101)133-84)139-86-74(123)72(121)68(117)56(39-100)134-86)145-93(90(130)131)37-54(113)65(96-48(5)108)82(144-93)71(120)59(42-103)141-92(89(128)129)36-53(112)64(95-47(4)107)81(143-92)70(119)58(41-102)140-91(88(126)127)35-52(111)63(94-46(3)106)80(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]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@@H](O)[C@@H](CO)O3)O)CO)[C@H](O[C@]3(O[C@@]([H])([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)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-NeuAc(3)-Cer 34:1;O2 > - > SLM:000487413 > 44262100 > - > - > - > - > - > - > - $$$$