LMSP0601DT07 LIPID_MAPS_STRUCTURE_DATABASE 137142 0 0 0 999 V2000 35.6506 10.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7228 11.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7948 10.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1869 9.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.1142 9.8683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.5787 11.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1424 9.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1424 8.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2146 9.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2279 12.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2056 12.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.2799 9.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3448 9.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4095 9.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4744 9.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5393 9.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8593 11.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9240 10.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9889 11.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0538 10.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1184 11.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1835 10.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2481 11.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3130 10.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5393 8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3130 9.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2882 9.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2637 9.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2390 9.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2142 9.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1896 9.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5235 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5079 8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4922 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4765 8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4607 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4450 8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4294 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4136 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3979 8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3821 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3664 8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3506 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3350 8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3193 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3035 8.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2878 7.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4409 14.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1380 14.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4211 13.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7341 16.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2931 16.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5240 17.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2878 15.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4292 14.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5762 15.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5842 16.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4429 16.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4508 17.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5385 14.8443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2811 14.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2811 13.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4488 13.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6164 13.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6163 14.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7846 15.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9527 14.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1211 15.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4744 15.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2344 15.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9874 15.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4487 12.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7840 13.3288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7846 16.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4487 15.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6163 15.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7840 12.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1356 12.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5493 12.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9627 13.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1328 13.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9546 12.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4752 14.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8292 17.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8216 16.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9839 16.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9757 15.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8082 14.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6458 15.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9250 17.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6511 16.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8000 13.7074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1542 16.6051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1211 16.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4271 13.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0135 13.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0135 12.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1812 12.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3488 12.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3487 13.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5170 14.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6851 13.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8535 14.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2068 14.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9668 14.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7198 14.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1811 11.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5164 12.3712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5170 15.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1811 14.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3487 14.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5164 11.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8680 11.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2817 11.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6851 12.8128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8535 15.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1413 13.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2032 13.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7342 14.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8214 16.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6102 13.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5399 13.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1413 15.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2032 15.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6102 14.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7580 14.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9320 15.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1197 14.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3074 15.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3076 16.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1198 16.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1207 17.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1199 13.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4950 16.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9322 16.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7830 17.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3224 17.0787 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 53 59 1 0 0 0 58 52 1 0 0 0 52 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 1 0 0 54 49 1 1 0 0 55 50 1 6 0 0 57 51 1 1 0 0 69 70 2 0 0 0 69 71 1 0 0 0 61 69 1 1 0 0 62 61 1 0 0 0 62 63 1 0 0 0 61 75 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 65 75 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 63 72 1 6 0 0 64 73 1 1 0 0 66 74 1 1 0 0 65 76 1 1 0 0 73 77 1 0 0 0 77 78 1 0 0 0 77 79 2 0 0 0 61 60 1 6 0 0 56 60 1 1 0 0 80 81 1 0 0 0 80 82 2 0 0 0 88 92 1 6 0 0 89 83 1 1 0 0 85 84 1 1 0 0 86 85 1 0 0 0 87 86 1 0 0 0 88 87 1 0 0 0 89 88 1 0 0 0 91 89 1 0 0 0 85 91 1 0 0 0 90 84 1 0 0 0 92 80 1 0 0 0 86 93 1 1 0 0 87 49 1 1 0 0 68 94 1 0 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 96110 1 0 0 0 98 99 1 0 0 0 99100 1 0 0 0 100101 1 0 0 0 100110 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 100111 1 1 0 0 108112 1 0 0 0 112113 1 0 0 0 112114 2 0 0 0 96 95 1 6 0 0 102115 1 6 0 0 103116 1 0 0 0 67 95 1 6 0 0 118117 1 0 0 0 119118 1 0 0 0 117121 1 6 0 0 118122 1 1 0 0 124123 1 0 0 0 119124 1 0 0 0 124120 1 1 0 0 125117 1 0 0 0 125123 1 0 0 0 119126 1 6 0 0 127128 1 0 0 0 129128 1 0 0 0 130129 1 0 0 0 130131 1 0 0 0 131132 1 1 0 0 131135 1 0 0 0 127135 1 0 0 0 128133 1 6 0 0 130134 1 1 0 0 132136 1 0 0 0 127126 1 1 0 0 129 83 1 1 0 0 120137 1 0 0 0 125 48 1 1 0 0 6 48 1 0 0 0 0 M END > LMSP0601DT07 > > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C90H158N4O39 > 1919.05 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > PQHHWIAFPMPNLO-BYFWAPRDSA-N > InChI=1S/C90H158N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(108)94-54(55(104)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)50-122-84-74(115)73(114)77(63(49-100)126-84)127-85-75(116)81(70(111)60(46-97)124-85)129-83-67(93-53(5)103)78(69(110)59(45-96)123-83)128-86-76(117)82(71(112)61(47-98)125-86)133-90(88(120)121)43-57(106)66(92-52(4)102)80(132-90)72(113)62(48-99)130-89(87(118)119)42-56(105)65(91-51(3)101)79(131-89)68(109)58(107)44-95/h20-21,38,40,54-63,65-86,95-100,104-107,109-117H,6-19,22-37,39,41-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,103)(H,94,108)(H,118,119)(H,120,121)/b21-20-,40-38+/t54-,55+,56-,57-,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69-,70-,71-,72+,73+,74+,75+,76+,77+,78+,79+,80+,81-,82-,83-,84+,85-,86-,89+,90-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O[C@]6(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C6)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)[C@@H](O)[C@@H](CO)O4)[C@H]3NC(=O)C)CO)[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(2)-Cer 42:2;O2 > - > - > 44262706 > - > - > - > - > - > - > - $$$$