LMSP0601AO04 LIPID_MAPS_STRUCTURE_DATABASE 145150 0 0 0 999 V2000 29.3929 9.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4365 10.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4799 9.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9458 8.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8400 8.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.3497 10.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8381 8.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8381 7.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8818 8.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9572 11.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9035 11.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9183 8.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9543 8.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9903 8.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0263 8.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0624 8.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5156 10.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5515 9.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5875 10.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6235 9.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6594 10.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6956 9.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7314 10.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7674 9.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0624 6.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7674 8.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7111 8.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6549 8.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5986 8.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5423 8.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4860 8.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0154 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9683 6.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9213 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8742 6.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8272 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7801 6.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7331 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6861 6.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6390 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5920 6.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5449 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4979 6.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4508 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4038 6.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6684 14.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7270 14.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0381 14.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2903 15.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2315 15.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4383 16.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4749 13.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0635 14.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6012 16.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9206 15.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2059 16.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0890 14.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0890 13.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2243 13.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3597 13.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3596 14.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4955 15.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6314 14.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7674 15.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2900 15.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0795 15.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7840 15.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2242 12.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4949 13.2921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4955 16.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8309 13.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2242 15.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3596 15.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4949 12.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8214 12.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2900 12.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8049 13.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8050 12.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9403 12.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0756 12.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0756 13.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2115 14.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3473 13.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4832 14.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0060 14.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7955 14.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4999 14.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9402 11.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2108 12.2437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2115 15.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9402 14.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0756 14.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2108 11.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5374 11.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0060 11.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7673 16.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3102 13.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8484 12.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8740 12.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3868 13.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4773 15.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3356 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1848 12.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3727 13.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5558 12.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5560 11.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6912 11.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8265 11.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8265 12.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 13.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0982 12.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 13.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7569 13.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5464 13.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2508 13.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6912 10.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9617 11.1070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9624 14.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 11.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6912 13.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8265 13.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9618 10.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 9.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 9.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4832 15.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 14.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5170 12.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8740 15.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8485 14.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8740 14.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3357 13.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3530 19.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4843 18.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6211 19.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7524 18.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7439 17.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6070 17.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1809 20.3914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4786 17.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6270 20.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8892 19.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8751 17.4329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0132 17.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1431 17.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0214 18.9399 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 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 46 47 1 0 0 0 48 47 1 0 0 0 49 48 1 0 0 0 49 50 1 0 0 0 50 51 1 1 0 0 50 55 1 0 0 0 46 55 1 0 0 0 47 52 1 6 0 0 48 53 1 1 0 0 49 54 1 1 0 0 51 56 1 0 0 0 65 66 2 0 0 0 65 67 1 0 0 0 57 65 1 1 0 0 58 57 1 0 0 0 58 59 1 0 0 0 57 72 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 61 72 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 59 68 1 6 0 0 60 69 1 1 0 0 62 70 1 1 0 0 63 71 1 6 0 0 61 73 1 1 0 0 69 74 1 0 0 0 74 75 1 0 0 0 74 76 2 0 0 0 57 53 1 6 0 0 85 86 2 0 0 0 85 87 1 0 0 0 77 85 1 1 0 0 78 77 1 0 0 0 78 79 1 0 0 0 77 91 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 81 91 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 79 88 1 6 0 0 80 89 1 1 0 0 82 90 1 1 0 0 81 92 1 1 0 0 89 93 1 0 0 0 93 94 1 0 0 0 93 95 2 0 0 0 64 96 1 0 0 0 77 71 1 6 0 0 99 98 1 0 0 0 100 99 1 0 0 0 98102 1 6 0 0 99103 1 1 0 0 46104 1 1 0 0 113114 2 0 0 0 113115 1 0 0 0 105113 1 1 0 0 106105 1 0 0 0 106107 1 0 0 0 105120 1 0 0 0 107108 1 0 0 0 108109 1 0 0 0 109110 1 0 0 0 109120 1 0 0 0 110111 1 0 0 0 111112 1 0 0 0 107116 1 6 0 0 108117 1 1 0 0 110118 1 1 0 0 111119 1 6 0 0 109121 1 1 0 0 117122 1 0 0 0 122123 1 0 0 0 122124 2 0 0 0 84125 1 0 0 0 112126 1 0 0 0 100104 1 6 0 0 105127 1 6 0 0 83127 1 6 0 0 101128 1 0 0 0 130129 1 0 0 0 100130 1 0 0 0 130101 1 1 0 0 131 97 1 1 0 0 131 98 1 0 0 0 131129 1 0 0 0 134140 1 1 0 0 135141 1 1 0 0 136142 1 6 0 0 137 54 1 1 0 0 133132 1 1 0 0 134133 1 0 0 0 135134 1 0 0 0 136135 1 0 0 0 137136 1 0 0 0 139137 1 0 0 0 133139 1 0 0 0 138132 1 0 0 0 142143 1 0 0 0 143144 2 0 0 0 143145 1 0 0 0 6 97 1 0 0 0 0 M END > LMSP0601AO04 > GT2(d18:1/22:0) > GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C93H163N5O42 > 2022.08 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > AGHCRWYXZZSBOZ-LDXJJSAASA-N > InChI=1S/C93H163N5O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-66(114)98-55(56(109)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)50-129-86-77(121)76(120)79(64(48-103)131-86)133-87-78(122)84(80(65(49-104)132-87)134-85-70(97-54(6)108)75(119)72(116)61(45-100)130-85)140-93(90(127)128)43-59(112)69(96-53(5)107)83(139-93)74(118)63(47-102)136-92(89(125)126)42-58(111)68(95-52(4)106)82(138-92)73(117)62(46-101)135-91(88(123)124)41-57(110)67(94-51(3)105)81(137-91)71(115)60(113)44-99/h37,39,55-65,67-87,99-104,109-113,115-122H,7-36,38,40-50H2,1-6H3,(H,94,105)(H,95,106)(H,96,107)(H,97,108)(H,98,114)(H,123,124)(H,125,126)(H,127,128)/b39-37+/t55-,56+,57-,58-,59-,60+,61+,62+,63+,64+,65+,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)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(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(2)-HexNAc-NeuAc(3)-Cer 40:1;O2 > - > SLM:000487800 > 178332990 > - > - > - > - > - > - > - $$$$