LMSP0601EF04 LIPID_MAPS_STRUCTURE_DATABASE 114118 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 -7.0646 2.7259 0.0000 N 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 -7.7218 2.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9808 1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5718 2.1438 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 -14.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2718 1.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1592 1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0465 1.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0465 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9332 3.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8200 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7067 3.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0656 3.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2554 3.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5849 4.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1592 0.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9339 1.3478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.9332 4.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.8200 1.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.5934 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1592 3.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0465 3.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9339 0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6250 0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1179 0.0978 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 6 74 79 1 0 75 80 1 0 80 81 1 0 80 82 2 0 69 65 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 77 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 90 1 6 M END > LMSP0601EF04 > sialosylparagloboside(d18:1/22:0) > NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C77H139N3O31 > 1601.94 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > KKIHQZRWTWWTDX-JBUSVAQKSA-N > InChI=1S/C77H139N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(91)80-48(49(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-102-73-64(97)63(96)68(55(44-85)106-73)108-74-65(98)70(60(93)52(41-82)103-74)109-72-58(79-47(4)87)62(95)67(54(43-84)105-72)107-75-66(99)71(61(94)53(42-83)104-75)111-77(76(100)101)39-50(89)57(78-46(3)86)69(110-77)59(92)51(90)40-81/h35,37,48-55,57-75,81-85,88-90,92-99H,5-34,36,38-45H2,1-4H3,(H,78,86)(H,79,87)(H,80,91)(H,100,101)/b37-35+/t48-,49+,50-,51+,52+,53+,54+,55+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70-,71-,72-,73+,74-,75-,77-/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]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]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-NeuAc-Cer 40:1;O2 > - > - > 44262791 > - > - > - > - > - > - > - $$$$