LMSP0601GS04 LIPID_MAPS_STRUCTURE_DATABASE 125130 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 -7.0646 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 -6.3574 8.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2287 8.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0893 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0789 9.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2077 10.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1981 11.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2391 7.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0580 8.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9396 10.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3469 9.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4878 11.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1138 7.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7687 6.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8327 7.7366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9396 10.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4397 9.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4396 9.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9396 10.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4396 11.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8467 12.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9397 8.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1468 8.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9396 10.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4396 11.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4396 12.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1468 8.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1468 7.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0342 7.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9215 7.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9215 8.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8082 9.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6950 8.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5817 9.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9406 9.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1304 9.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4599 10.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0342 6.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.8089 7.3782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.8082 10.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.6950 7.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.4684 8.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0342 9.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9215 9.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8089 6.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5000 6.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9929 6.1282 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 69 65 1 6 80 81 1 0 82 81 1 0 83 82 1 0 83 84 1 0 84 85 1 1 84 89 1 0 80 89 1 0 81 86 1 6 82 87 1 1 83 88 1 6 85 90 1 0 86 91 1 0 91 92 1 0 91 93 2 0 80 68 1 1 94 95 1 0 96 95 1 0 97 96 1 0 97 98 1 0 98 99 1 1 98103 1 0 94103 1 0 95100 1 6 96101 1 1 97102 1 1 99104 1 0 94 88 1 1 113114 2 0 113115 1 0 105113 1 1 106105 1 0 106107 1 0 105121 1 0 107108 1 0 108109 1 0 109110 1 0 109121 1 0 110111 1 0 111112 1 0 107116 1 6 108117 1 1 110118 1 1 111119 1 6 112120 1 0 109122 1 1 117123 1 0 123124 1 0 123125 2 0 105101 1 6 M END > LMSP0601GS04 > > Galalpha1-3(NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C83H149N3O36 > 1763.99 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > SLIPLTNQOIQTQL-XHJIVBJZSA-N > InChI=1S/C83H149N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-58(97)86-49(50(94)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-111-78-69(106)67(104)73(56(44-91)116-78)119-80-70(107)75(120-79-68(105)66(103)62(99)53(41-88)113-79)64(101)57(117-80)46-112-77-60(85-48(4)93)65(102)72(55(43-90)115-77)118-81-71(108)76(63(100)54(42-89)114-81)122-83(82(109)110)39-51(95)59(84-47(3)92)74(121-83)61(98)52(96)40-87/h35,37,49-57,59-81,87-91,94-96,98-108H,5-34,36,38-46H2,1-4H3,(H,84,92)(H,85,93)(H,86,97)(H,109,110)/b37-35+/t49-,50+,51-,52+,53+,54+,55+,56+,57+,59+,60+,61+,62-,63-,64-,65+,66-,67+,68+,69+,70+,71+,72+,73+,74+,75-,76-,77+,78+,79+,80-,81-,83-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)[C@H]4O)[C@H](O)[C@H]3NC(=O)C)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(4)-HexNAc-NeuAc-Cer 40:1;O2 > - > - > 44263263 > - > - > - > - > - > - > - $$$$