LMSP0601BK07 LIPID_MAPS_STRUCTURE_DATABASE 136140 0 0 0 999 V2000 31.3412 10.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3901 10.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4386 10.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8911 9.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7913 9.0681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.2928 10.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7949 8.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7949 7.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8437 9.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9079 11.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8597 11.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8853 8.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9266 9.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9678 8.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0089 9.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0502 8.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4794 10.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5205 10.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5617 10.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6029 10.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6439 10.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6854 10.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7265 10.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7676 10.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0502 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7676 9.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7169 8.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6664 9.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6159 8.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5653 9.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5148 8.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0089 6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9675 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9261 6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8847 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8433 6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8019 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7605 6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7191 6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6777 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6363 6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5949 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5535 6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5122 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4707 6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4294 7.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3879 6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2994 14.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9257 14.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9718 14.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4948 14.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5835 16.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4026 13.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2973 13.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9718 17.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9257 15.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9718 15.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4026 14.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4689 14.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4529 13.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4570 14.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9686 15.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4843 16.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4671 14.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9591 14.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9523 14.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4586 14.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9668 15.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4728 16.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2168 13.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9623 13.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7093 12.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7653 12.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0742 12.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3271 13.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6365 14.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6931 14.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0025 15.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3086 14.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1225 14.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9501 14.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5123 11.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1301 12.7302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8893 15.5612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6658 13.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2711 14.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5799 14.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9079 11.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1784 11.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5734 11.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2494 15.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0087 14.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8389 13.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9207 12.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1720 13.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3416 14.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5934 15.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6757 14.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9273 15.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3075 14.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1139 14.8339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9001 15.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2534 13.1475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7631 16.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2600 14.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5112 15.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1044 12.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 12.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0975 16.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4316 14.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7507 11.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8129 11.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4386 13.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1856 12.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2415 12.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5504 13.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8033 14.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1127 14.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1693 14.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4787 15.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7849 14.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5988 14.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4263 14.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9885 11.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6063 13.0204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3655 15.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1421 13.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7474 14.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0561 15.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3841 12.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6547 12.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0496 11.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7256 16.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 16.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5055 17.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3919 16.6310 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 50 49 1 0 0 0 51 50 1 0 0 0 49 53 1 6 0 0 50 54 1 1 0 0 52 55 1 0 0 0 57 56 1 0 0 0 51 57 1 0 0 0 57 52 1 1 0 0 58 49 1 0 0 0 58 56 1 0 0 0 63 69 1 0 0 0 68 62 1 0 0 0 62 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 1 0 0 64 59 1 1 0 0 65 60 1 6 0 0 67 61 1 1 0 0 79 80 2 0 0 0 79 81 1 0 0 0 71 79 1 1 0 0 72 71 1 0 0 0 72 73 1 0 0 0 71 86 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 75 86 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 73 82 1 6 0 0 74 83 1 1 0 0 76 84 1 1 0 0 77 85 1 6 0 0 75 87 1 1 0 0 83 88 1 0 0 0 88 89 1 0 0 0 88 90 2 0 0 0 71 70 1 6 0 0 78 91 1 0 0 0 66 70 1 1 0 0 100101 2 0 0 0 100102 1 0 0 0 92100 1 1 0 0 93 92 1 0 0 0 93 94 1 0 0 0 92105 1 0 0 0 94 95 1 0 0 0 95 96 1 0 0 0 96 97 1 0 0 0 96105 1 0 0 0 97 98 1 0 0 0 98 99 1 0 0 0 95103 1 1 0 0 97104 1 1 0 0 96106 1 1 0 0 103107 1 0 0 0 107108 1 0 0 0 99109 1 0 0 0 98110 1 6 0 0 107112 2 0 0 0 94111 1 6 0 0 121122 2 0 0 0 121123 1 0 0 0 113121 1 1 0 0 114113 1 0 0 0 114115 1 0 0 0 113128 1 0 0 0 115116 1 0 0 0 116117 1 0 0 0 117118 1 0 0 0 117128 1 0 0 0 118119 1 0 0 0 119120 1 0 0 0 115124 1 6 0 0 116125 1 1 0 0 118126 1 1 0 0 119127 1 6 0 0 117129 1 1 0 0 125130 1 0 0 0 130131 1 0 0 0 130132 2 0 0 0 120133 1 0 0 0 113 85 1 6 0 0 92127 1 6 0 0 51 59 1 6 0 0 109134 1 0 0 0 134135 1 0 0 0 134136 2 0 0 0 58 48 1 1 0 0 M END > LMSP0601BK07 > > 9-OAc-NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C89H154N4O38 > 1887.02 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > VGWCPUAAUWNMAD-QCMRILBSSA-N > InChI=1S/C89H154N4O38/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-66(107)93-56(57(102)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)50-122-82-75(113)74(112)77(65(49-97)124-82)125-83-76(114)81(71(109)62(46-94)123-83)131-89(86(119)120)45-60(105)69(92-54(5)100)80(130-89)73(111)64(48-96)127-88(85(117)118)44-59(104)68(91-53(4)99)79(129-88)72(110)63(47-95)126-87(84(115)116)43-58(103)67(90-52(3)98)78(128-87)70(108)61(106)51-121-55(6)101/h21-22,39,41,56-65,67-83,94-97,102-106,108-114H,7-20,23-38,40,42-51H2,1-6H3,(H,90,98)(H,91,99)(H,92,100)(H,93,107)(H,115,116)(H,117,118)(H,119,120)/b22-21-,41-39+/t56-,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-,87+,88+,89-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2[C@H](O)[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)COC(=O)C)[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](O)[C@@H](CO)O2)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > - > - > - > 44262258 > - > - > - > - > - > - > - $$$$