LMSP0601AD01 LIPID_MAPS_STRUCTURE_DATABASE 140146 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 -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 -7.8575 4.2990 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 -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 -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 -11.0646 2.7259 0.0000 N 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 -11.7218 2.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9808 1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5718 2.1438 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 -16.7718 5.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2934 4.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3180 4.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8209 5.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2994 6.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8020 7.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8259 7.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3285 8.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2718 6.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4354 6.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4717 6.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.8396 4.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.8456 5.8472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.2808 8.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.3471 6.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.3523 8.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.2748 6.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.7782 7.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.3037 5.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0895 5.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7795 4.3559 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 3 26 2 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 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 6 40 1 0 41 42 1 0 43 42 1 0 44 43 1 0 44 45 1 0 45 46 1 1 45 50 1 0 41 50 1 0 42 47 1 6 43 48 1 1 44 49 1 6 46 51 1 0 41 40 1 1 52 53 1 0 54 53 1 0 55 54 1 0 55 56 1 0 56 57 1 1 56 61 1 0 52 61 1 0 53 58 1 6 54 59 1 1 55 60 1 1 57 62 1 0 52 49 1 1 63 64 1 0 65 64 1 0 66 65 1 0 66 67 1 0 67 68 1 1 67 72 1 0 63 72 1 0 64 69 1 6 65 70 1 1 66 71 1 1 68 73 1 0 63 60 1 6 74 75 1 0 76 75 1 0 77 76 1 0 77 78 1 0 78 79 1 1 78 83 1 0 74 83 1 0 75 80 1 6 76 81 1 1 77 82 1 1 79 84 1 0 80 85 1 0 85 86 1 0 85 87 2 0 74 70 1 1 88 89 1 0 90 89 1 0 91 90 1 0 91 92 1 0 92 93 1 1 92 97 1 0 88 97 1 0 89 94 1 6 90 95 1 1 91 96 1 1 93 98 1 0 88 81 1 1 107108 2 0 107109 1 0 99107 1 1 100 99 1 0 100101 1 0 99115 1 0 101102 1 0 102103 1 0 103104 1 0 103115 1 0 104105 1 0 105106 1 0 101110 1 6 102111 1 1 104112 1 1 105113 1 6 106114 1 0 103116 1 1 111117 1 0 117118 1 0 117119 2 0 99 98 1 6 128129 2 0 128130 1 0 120128 1 1 121120 1 0 121122 1 0 120136 1 0 122123 1 0 123124 1 0 124125 1 0 124136 1 0 125126 1 0 126127 1 0 122131 1 6 123132 1 1 125133 1 1 126134 1 6 127135 1 0 124137 1 1 132138 1 0 138139 1 0 138140 2 0 120 95 1 6 M END > LMSP0601AD01 > > NeuAcalpha2-6(NeuAcalpha2-3)Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C88H154N4O44 > 1970.99 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > URIMVADBMGBYBI-AGYPCYPESA-N > InChI=1S/C88H154N4O44/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-48(102)47(92-58(107)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-123-81-69(115)67(113)73(55(40-97)127-81)130-82-70(116)68(114)74(56(41-98)128-82)131-83-71(117)78(65(111)54(39-96)126-83)133-80-61(91-46(5)101)75(64(110)53(38-95)125-80)132-84-72(118)79(136-88(86(121)122)35-50(104)60(90-45(4)100)77(135-88)63(109)52(106)37-94)66(112)57(129-84)43-124-87(85(119)120)34-49(103)59(89-44(3)99)76(134-87)62(108)51(105)36-93/h30,32,47-57,59-84,93-98,102-106,108-118H,6-29,31,33-43H2,1-5H3,(H,89,99)(H,90,100)(H,91,101)(H,92,107)(H,119,120)(H,121,122)/b32-30+/t47-,48+,49-,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+,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@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@]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]4NC(=O)C)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(4)-HexNAc-NeuAc(2)-Cer 34:1;O2 > - > - > 178332918 > - > - > - > - > - > - > - $$$$