LMSP0601GL08 LIPID_MAPS_STRUCTURE_DATABASE 129134 0 0 0 0 0 0 0 0999 V2000 0.2719 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4688 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 -0.3452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8629 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5829 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3029 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0229 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4629 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1829 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9029 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6229 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3429 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0629 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7829 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5029 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2229 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9429 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6629 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3829 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1029 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8229 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5429 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2629 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9829 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7029 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4229 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1429 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1889 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6289 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0689 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7889 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5089 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2289 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9489 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6689 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3889 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1089 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8289 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5489 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1426 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 4.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 4.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5647 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5646 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5646 5.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9717 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0647 2.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2718 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5646 5.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5646 6.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7719 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7718 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7718 3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1789 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2718 1.1528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4790 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2718 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7718 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7718 5.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9290 0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1880 -0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7790 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4790 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9791 0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9790 0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4790 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9790 2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3861 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4791 -0.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6862 -0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4790 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9790 2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9790 3.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.9790 4.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5006 3.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5252 3.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0281 4.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5066 5.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0092 6.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0331 6.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5357 6.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4790 4.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6426 4.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6789 5.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0468 2.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.0528 4.2741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.4880 6.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.5543 5.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.5595 6.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4820 5.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9854 6.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5109 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2967 3.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9867 2.7828 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 5 1 0 0 0 0 2 9 1 1 0 0 0 2 10 1 6 0 0 0 7 11 1 0 0 0 0 11 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 16 17 1 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 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 31 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 3 36 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 51 52 1 0 53 52 1 0 54 53 1 0 54 55 1 0 55 56 1 1 55 60 1 0 51 60 1 0 52 57 1 6 53 58 1 1 54 59 1 6 56 61 1 0 51 50 1 1 62 63 1 0 64 63 1 0 65 64 1 0 65 66 1 0 66 67 1 1 66 71 1 0 62 71 1 0 63 68 1 6 64 69 1 1 65 70 1 1 67 72 1 0 62 59 1 1 73 74 1 0 75 74 1 0 76 75 1 0 76 77 1 0 77 78 1 1 77 82 1 0 73 82 1 0 74 79 1 6 75 80 1 1 76 81 1 1 78 83 1 0 73 69 1 6 84 85 1 0 86 85 1 0 87 86 1 0 87 88 1 0 88 89 1 1 88 93 1 0 84 93 1 0 85 90 1 6 86 91 1 1 87 92 1 1 89 94 1 0 90 95 1 0 95 96 1 0 95 97 2 0 84 80 1 1 98 99 1 0 100 99 1 0 101100 1 0 101102 1 0 102103 1 1 102107 1 0 98107 1 0 99104 1 6 100105 1 1 101106 1 1 103108 1 0 98 91 1 1 117118 2 0 117119 1 0 109117 1 1 110109 1 0 110111 1 0 109125 1 0 111112 1 0 112113 1 0 113114 1 0 113125 1 0 114115 1 0 115116 1 0 111120 1 6 112121 1 1 114122 1 1 115123 1 6 116124 1 0 113126 1 1 121127 1 0 127128 1 0 127129 2 0 109108 1 6 M END > LMSP0601GL08 > > NeuAcalpha2-6Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C87H155N3O36 > 1818.04 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > YVRHXHMYFKUTCF-NQCIAFORSA-N > InChI=1S/C87H155N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-62(101)90-53(54(98)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-115-82-73(110)71(108)76(60(48-95)120-82)122-84-75(112)80(69(106)59(47-94)118-84)125-85-74(111)79(68(105)58(46-93)119-85)124-81-64(89-52(4)97)77(67(104)57(45-92)117-81)123-83-72(109)70(107)66(103)61(121-83)50-116-87(86(113)114)43-55(99)63(88-51(3)96)78(126-87)65(102)56(100)44-91/h19-20,39,41,53-61,63-85,91-95,98-100,102-112H,5-18,21-38,40,42-50H2,1-4H3,(H,88,96)(H,89,97)(H,90,101)(H,113,114)/b20-19-,41-39+/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-,81-,82+,83-,84-,85+,87+/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](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO[C@]6(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C6)C(O)=O)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(=O)C)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(4)-HexNAc-NeuAc-Cer 44:2;O2 > - > - > 44263219 > - > - > - > - > - > - > - $$$$