LMSP0601AN07 LIPID_MAPS_STRUCTURE_DATABASE 126130 0 0 0 999 V2000 29.8364 9.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8961 10.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9554 9.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3801 8.7385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2927 8.7385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.7771 10.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3077 8.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3077 7.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3674 8.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4079 11.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3719 11.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4201 8.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4722 8.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5243 8.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5764 8.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6287 8.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0072 10.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0593 9.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1115 10.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1636 9.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2156 10.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2680 9.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3200 10.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3722 9.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6287 7.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3722 8.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3336 8.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2951 8.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2564 8.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2178 8.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1793 8.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5993 6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5697 7.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5402 6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5107 7.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4813 6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4517 7.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4222 6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3927 6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3632 7.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3338 6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3042 7.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2747 6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2452 7.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2158 6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1862 7.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1567 6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7336 13.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1134 13.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1720 13.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4831 14.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7353 15.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6765 15.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8833 16.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9199 12.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5085 14.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0462 16.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3656 14.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6509 16.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5340 14.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5340 13.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6693 12.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8047 13.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8046 14.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9405 14.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0764 14.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2124 14.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7350 15.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5245 15.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2290 15.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6692 11.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9399 12.9377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9405 15.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2759 13.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6692 14.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8046 15.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9399 12.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2664 11.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7350 11.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2499 13.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2500 12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3853 11.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5206 12.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5206 13.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6565 13.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7923 13.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9282 13.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4510 14.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2405 14.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9449 14.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3852 10.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6558 11.8893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6565 14.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3852 13.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5206 14.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6558 11.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9824 10.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4510 10.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2123 15.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2934 12.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3190 12.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8318 13.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9223 14.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7806 11.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6298 11.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8177 13.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9282 14.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6763 12.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3190 15.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2935 14.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3190 14.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7807 13.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7980 19.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9293 18.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0661 19.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1974 18.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1889 17.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0520 17.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6259 20.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9236 17.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0720 20.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3342 19.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3201 17.0785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4582 17.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5881 17.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4664 18.5855 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 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 68 69 2 0 0 0 68 70 1 0 0 0 60 68 1 1 0 0 61 60 1 0 0 0 61 62 1 0 0 0 60 75 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 64 75 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 62 71 1 6 0 0 63 72 1 1 0 0 65 73 1 1 0 0 66 74 1 6 0 0 64 76 1 1 0 0 72 77 1 0 0 0 77 78 1 0 0 0 77 79 2 0 0 0 60 56 1 6 0 0 88 89 2 0 0 0 88 90 1 0 0 0 80 88 1 1 0 0 81 80 1 0 0 0 81 82 1 0 0 0 80 94 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 84 94 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 82 91 1 6 0 0 83 92 1 1 0 0 85 93 1 1 0 0 84 95 1 1 0 0 92 96 1 0 0 0 96 97 1 0 0 0 96 98 2 0 0 0 67 99 1 0 0 0 80 74 1 6 0 0 101100 1 0 0 0 102101 1 0 0 0 100104 1 6 0 0 101105 1 1 0 0 49106 1 1 0 0 87107 1 0 0 0 102106 1 6 0 0 86108 1 6 0 0 103109 1 0 0 0 111110 1 0 0 0 102111 1 0 0 0 111103 1 1 0 0 112100 1 0 0 0 112110 1 0 0 0 115121 1 1 0 0 116122 1 1 0 0 117123 1 6 0 0 118 57 1 1 0 0 114113 1 1 0 0 115114 1 0 0 0 116115 1 0 0 0 117116 1 0 0 0 118117 1 0 0 0 120118 1 0 0 0 114120 1 0 0 0 119113 1 0 0 0 123124 1 0 0 0 124125 2 0 0 0 124126 1 0 0 0 112 48 1 1 0 0 M END > LMSP0601AN07 > GD2(d18:1/24:1(15Z)) > GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C84H148N4O34 > 1757.00 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > NWBZYNQCPKLRGN-HLXITFRVSA-N > InChI=1S/C84H148N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-62(101)88-53(54(97)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-113-79-71(107)70(106)73(60(47-92)115-79)117-80-72(108)77(74(61(48-93)116-80)118-78-65(87-52(5)96)69(105)67(103)58(45-90)114-78)122-84(82(111)112)43-56(99)64(86-51(4)95)76(121-84)68(104)59(46-91)119-83(81(109)110)42-55(98)63(85-50(3)94)75(120-83)66(102)57(100)44-89/h20-21,38,40,53-61,63-80,89-93,97-100,102-108H,6-19,22-37,39,41-49H2,1-5H3,(H,85,94)(H,86,95)(H,87,96)(H,88,101)(H,109,110)(H,111,112)/b21-20-,40-38+/t53-,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-,83+,84-/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)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(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(2)-HexNAc-NeuAc(2)-Cer 42:2;O2 > - > SLM:000487672 > 44262074 > - > - > - > - > - > - > - $$$$