LMSP0601BE04 LIPID_MAPS_STRUCTURE_DATABASE 135140 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 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1029 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8229 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5429 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2629 -0.3452 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 -7.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8574 4.2990 0.0000 N 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 -10.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5146 3.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7736 3.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3646 3.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5647 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 5.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9717 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0647 2.7259 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 -14.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5646 5.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 6.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3574 8.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8790 8.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9036 8.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4065 8.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8850 9.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3876 10.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4115 10.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9141 11.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8574 9.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 9.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0573 10.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4252 7.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4312 8.9934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8664 11.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9327 9.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9379 11.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8604 9.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3638 10.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8893 8.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6751 8.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3651 7.5021 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 -7.0646 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 2.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8393 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8393 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 4.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6128 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4995 4.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8584 5.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0482 5.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3777 5.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 1.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7267 2.9209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 5.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6128 3.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3862 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 4.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8393 5.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7267 2.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4178 1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9107 1.6709 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 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 3 32 2 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 6 46 1 0 47 48 1 0 49 48 1 0 50 49 1 0 50 51 1 0 51 52 1 1 51 56 1 0 47 56 1 0 48 53 1 6 49 54 1 1 50 55 1 6 52 57 1 0 47 46 1 1 58 59 1 0 60 59 1 0 61 60 1 0 61 62 1 0 62 63 1 1 62 67 1 0 58 67 1 0 59 64 1 6 60 65 1 1 61 66 1 1 63 68 1 0 58 55 1 1 69 70 1 0 71 70 1 0 72 71 1 0 72 73 1 0 73 74 1 1 73 78 1 0 69 78 1 0 70 75 1 6 71 76 1 1 72 77 1 1 74 79 1 0 75 80 1 0 80 81 1 0 80 82 2 0 69 66 1 1 83 84 1 0 85 84 1 0 86 85 1 0 86 87 1 0 87 88 1 1 87 92 1 0 83 92 1 0 84 89 1 6 85 90 1 1 86 91 1 1 88 93 1 0 83 76 1 1 102103 2 0 102104 1 0 94102 1 1 95 94 1 0 95 96 1 0 94110 1 0 96 97 1 0 97 98 1 0 98 99 1 0 98110 1 0 99100 1 0 100101 1 0 96105 1 6 97106 1 1 99107 1 1 100108 1 6 101109 1 0 98111 1 1 106112 1 0 112113 1 0 112114 2 0 94 79 1 6 123124 2 0 123125 1 0 115123 1 1 116115 1 0 116117 1 0 115131 1 0 117118 1 0 118119 1 0 119120 1 0 119131 1 0 120121 1 0 121122 1 0 117126 1 6 118127 1 1 120128 1 1 121129 1 6 122130 1 0 119132 1 1 127133 1 0 133134 1 0 133135 2 0 115 65 1 6 M END > LMSP0601BE04 > GD1aa(d18:1/22:0) > Galbeta1-3(NeuAcalpha2-6)GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C88H156N4O39 > 1893.03 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > OHSODNZOWAIGIA-AYMWGWKFSA-N > InChI=1S/C88H156N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(106)92-52(53(101)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-120-82-73(114)71(112)75(59(45-96)123-82)126-84-74(115)80(131-88(86(118)119)41-55(103)64(90-50(4)99)79(130-88)67(108)57(105)43-94)76(60(46-97)124-84)127-81-65(91-51(5)100)77(128-83-72(113)70(111)68(109)58(44-95)122-83)69(110)61(125-81)48-121-87(85(116)117)40-54(102)63(89-49(3)98)78(129-87)66(107)56(104)42-93/h36,38,52-61,63-84,93-97,101-105,107-115H,6-35,37,39-48H2,1-5H3,(H,89,98)(H,90,99)(H,91,100)(H,92,106)(H,116,117)(H,118,119)/b38-36+/t52-,53+,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-,87+,88-/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](CO[C@]4(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(=O)C)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](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(3)-HexNAc-NeuAc(2)-Cer 40:1;O2 > - > - > 44262207 > - > - > - > - > - > - > - $$$$