LMSP0601DT02 LIPID_MAPS_STRUCTURE_DATABASE 131136 0 0 0 999 V2000 35.8812 10.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9474 11.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0132 10.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4212 9.9306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3412 9.9306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.8154 11.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3630 9.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3630 8.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4292 9.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4557 12.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4267 12.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4883 9.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5468 9.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6055 9.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6640 9.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7229 9.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0714 11.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1301 10.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1886 11.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2473 10.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3058 11.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3647 10.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4232 11.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4817 10.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7229 8.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4817 9.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4503 9.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4188 9.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3874 9.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3558 9.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3245 9.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7004 7.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6779 8.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6555 7.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6330 8.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6107 7.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5882 8.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5657 7.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5432 8.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5208 7.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4983 8.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8219 14.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5190 14.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8021 13.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1151 16.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6741 15.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9050 17.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6688 14.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8102 14.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9572 14.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9652 15.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8239 16.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8318 17.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9195 14.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6621 14.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6621 13.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8298 12.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9974 13.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9973 14.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1656 14.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3337 14.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5021 14.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8554 15.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6154 15.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3684 15.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8297 12.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1650 12.9705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1656 15.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8297 14.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9973 15.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1650 12.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5166 11.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9303 11.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3437 12.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5138 13.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3356 11.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8562 14.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2102 17.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2026 16.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3649 15.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3567 14.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1892 14.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0268 14.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3060 17.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0321 15.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1810 13.3491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5352 16.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5021 15.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8081 13.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3945 13.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3945 12.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5622 12.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7298 12.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7297 13.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 13.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0661 13.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2345 13.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5878 14.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3478 14.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1008 14.5041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5621 11.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8974 12.0129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 14.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5621 13.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7297 14.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8974 11.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2490 10.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6627 10.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0661 12.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2345 14.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5223 13.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5842 13.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1152 14.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2024 15.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9912 12.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9209 12.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5223 15.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5842 15.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9912 14.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1390 14.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3130 14.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5007 14.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6884 14.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6886 15.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5008 16.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5017 17.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5009 13.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8760 16.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3132 15.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1640 17.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7034 16.7204 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 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 0 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 1 0 0 48 43 1 1 0 0 49 44 1 6 0 0 51 45 1 1 0 0 63 64 2 0 0 0 63 65 1 0 0 0 55 63 1 1 0 0 56 55 1 0 0 0 56 57 1 0 0 0 55 69 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 59 69 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 57 66 1 6 0 0 58 67 1 1 0 0 60 68 1 1 0 0 59 70 1 1 0 0 67 71 1 0 0 0 71 72 1 0 0 0 71 73 2 0 0 0 55 54 1 6 0 0 50 54 1 1 0 0 74 75 1 0 0 0 74 76 2 0 0 0 82 86 1 6 0 0 83 77 1 1 0 0 79 78 1 1 0 0 80 79 1 0 0 0 81 80 1 0 0 0 82 81 1 0 0 0 83 82 1 0 0 0 85 83 1 0 0 0 79 85 1 0 0 0 84 78 1 0 0 0 86 74 1 0 0 0 80 87 1 1 0 0 81 43 1 1 0 0 62 88 1 0 0 0 98 99 2 0 0 0 98100 1 0 0 0 90 98 1 1 0 0 91 90 1 0 0 0 91 92 1 0 0 0 90104 1 0 0 0 92 93 1 0 0 0 93 94 1 0 0 0 94 95 1 0 0 0 94104 1 0 0 0 95 96 1 0 0 0 96 97 1 0 0 0 92101 1 6 0 0 93102 1 1 0 0 95103 1 1 0 0 94105 1 1 0 0 102106 1 0 0 0 106107 1 0 0 0 106108 2 0 0 0 90 89 1 6 0 0 96109 1 6 0 0 97110 1 0 0 0 61 89 1 6 0 0 112111 1 0 0 0 113112 1 0 0 0 111115 1 6 0 0 112116 1 1 0 0 118117 1 0 0 0 113118 1 0 0 0 118114 1 1 0 0 119111 1 0 0 0 119117 1 0 0 0 113120 1 6 0 0 121122 1 0 0 0 123122 1 0 0 0 124123 1 0 0 0 124125 1 0 0 0 125126 1 1 0 0 125129 1 0 0 0 121129 1 0 0 0 122127 1 6 0 0 124128 1 1 0 0 126130 1 0 0 0 121120 1 1 0 0 123 77 1 1 0 0 114131 1 0 0 0 119 42 1 1 0 0 M END > LMSP0601DT02 > > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C84H148N4O39 > 1836.97 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > JMNDDLXLTPUYNK-MMEOSUFXSA-N > InChI=1S/C84H148N4O39/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(102)88-48(49(98)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-116-78-68(109)67(108)71(57(43-94)120-78)121-79-69(110)75(64(105)54(40-91)118-79)123-77-61(87-47(5)97)72(63(104)53(39-90)117-77)122-80-70(111)76(65(106)55(41-92)119-80)127-84(82(114)115)37-51(100)60(86-46(4)96)74(126-84)66(107)56(42-93)124-83(81(112)113)36-50(99)59(85-45(3)95)73(125-83)62(103)52(101)38-89/h32,34,48-57,59-80,89-94,98-101,103-111H,6-31,33,35-44H2,1-5H3,(H,85,95)(H,86,96)(H,87,97)(H,88,102)(H,112,113)(H,114,115)/b34-32+/t48-,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-,83+,84-/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]([C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O[C@]5(O[C@@]([H])([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)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)[C@@H](O)[C@@H](CO)O4)[C@H]3NC(=O)C)CO)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-NeuAc(2)-Cer 36:1;O2 > - > - > 44262701 > - > - > - > - > - > - > - $$$$