LMSP0601GW02 LIPID_MAPS_STRUCTURE_DATABASE 121126 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 -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 -14.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7719 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7718 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7718 3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1789 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2719 1.1528 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 -17.2718 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7718 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7718 5.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.4790 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4790 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3664 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2537 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2537 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1404 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0272 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.9139 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2728 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4626 2.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.7921 2.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.3664 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.1411 -0.2253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -20.1404 2.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.0272 0.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.8006 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.3664 1.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.2537 2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.1411 -1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.8322 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3251 -1.4753 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 3 28 2 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 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 6 42 1 0 43 44 1 0 45 44 1 0 46 45 1 0 46 47 1 0 47 48 1 1 47 52 1 0 43 52 1 0 44 49 1 6 45 50 1 1 46 51 1 6 48 53 1 0 43 42 1 1 54 55 1 0 56 55 1 0 57 56 1 0 57 58 1 0 58 59 1 1 58 63 1 0 54 63 1 0 55 60 1 6 56 61 1 1 57 62 1 1 59 64 1 0 54 51 1 1 65 66 1 0 67 66 1 0 68 67 1 0 68 69 1 0 69 70 1 1 69 74 1 0 65 74 1 0 66 71 1 6 67 72 1 1 68 73 1 1 70 75 1 0 65 61 1 6 76 77 1 0 78 77 1 0 79 78 1 0 79 80 1 0 80 81 1 1 80 85 1 0 76 85 1 0 77 82 1 6 78 83 1 1 79 84 1 6 81 86 1 0 82 87 1 0 87 88 1 0 87 89 2 0 76 72 1 1 90 91 1 0 92 91 1 0 93 92 1 0 93 94 1 0 94 95 1 1 94 99 1 0 90 99 1 0 91 96 1 6 92 97 1 1 93 98 1 1 95100 1 0 90 84 1 1 109110 2 0 109111 1 0 101109 1 1 102101 1 0 102103 1 0 101117 1 0 103104 1 0 104105 1 0 105106 1 0 105117 1 0 106107 1 0 107108 1 0 103112 1 6 104113 1 1 106114 1 1 107115 1 6 108116 1 0 105118 1 1 113119 1 0 119120 1 0 119121 2 0 101 97 1 6 M END > LMSP0601GW02 > > NeuAcalpha1-3Galbeta1-4GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C79H141N3O36 > 1707.93 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > TUHBSQQKODNCIK-JVMJEDQVSA-N > InChI=1S/C79H141N3O36/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-54(94)82-45(46(91)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)42-107-74-63(101)62(100)68(53(41-88)112-74)114-75-65(103)71(59(97)50(38-85)108-75)116-76-64(102)70(58(96)49(37-84)109-76)115-73-56(81-44(4)90)61(99)67(52(40-87)111-73)113-77-66(104)72(60(98)51(39-86)110-77)118-79(78(105)106)35-47(92)55(80-43(3)89)69(117-79)57(95)48(93)36-83/h31,33,45-53,55-77,83-88,91-93,95-104H,5-30,32,34-42H2,1-4H3,(H,80,89)(H,81,90)(H,82,94)(H,105,106)/b33-31+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,55+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71-,72-,73-,74+,75-,76+,77-,79-/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]5O[C@H](CO)[C@H](O)[C@H](O[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]5O)[C@H](O)[C@H]4NC(=O)C)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(4)-HexNAc-NeuAc-Cer 36:1;O2 > - > - > 44263293 > - > - > - > - > - > - > - $$$$