LMSP0601AQ02 LIPID_MAPS_STRUCTURE_DATABASE 131136 0 0 0 999 V2000 20.8325 -5.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9047 -5.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9766 -5.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3689 -6.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2961 -6.5758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7606 -5.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3242 -7.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3242 -8.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3963 -6.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4098 -4.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 -4.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4618 -7.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5266 -6.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5913 -7.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6562 -6.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7210 -7.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0410 -5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1059 -5.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1705 -5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2354 -5.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3001 -5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3651 -5.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4299 -5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4946 -5.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7210 -8.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4946 -6.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4697 -7.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4451 -6.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4203 -7.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3956 -6.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3709 -7.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7052 -8.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6894 -8.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 -8.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 -8.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 -8.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6263 -8.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6106 -8.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7182 -2.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2020 -1.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2837 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6116 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8576 -0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7758 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9777 0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0377 -2.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6608 -0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1854 0.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4481 -0.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7264 1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7103 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7103 -1.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8666 -2.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0232 -1.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0231 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1801 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3371 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9063 -0.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6765 -0.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4126 0.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8666 -3.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1795 -2.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1801 0.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 -1.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8666 -0.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0231 0.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1795 -3.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5225 -3.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9552 -3.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5554 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5555 -2.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7119 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8683 -2.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8683 -1.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 -1.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 -1.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 -1.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7515 -1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5218 -1.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2578 -0.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7119 -4.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0247 -3.4418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 -0.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7119 -1.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8683 -1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0247 -4.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 -4.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8004 -4.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4943 0.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3043 -2.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3537 -2.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8785 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9667 -0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7796 -3.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6814 -3.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8892 -2.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 -0.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0691 -2.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3537 0.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3045 -1.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3537 -1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7796 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8944 3.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0469 3.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2049 3.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3575 3.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3491 2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1912 1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7265 4.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0414 2.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2106 4.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5153 3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5015 1.6204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6608 2.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8119 1.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6687 3.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 -8.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7752 2.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0486 3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0653 5.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6591 5.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8659 6.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6536 4.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7835 3.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9187 4.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 5.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7973 5.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8055 6.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 -8.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 -8.3269 0.0000 C 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 6 39 1 0 0 0 0 40 41 1 0 0 0 42 41 1 0 0 0 43 42 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 44 49 1 0 0 0 40 49 1 0 0 0 41 46 1 6 0 0 42 47 1 1 0 0 43 48 1 1 0 0 45 50 1 0 0 0 59 60 2 0 0 0 59 61 1 0 0 0 51 59 1 1 0 0 52 51 1 0 0 0 52 53 1 0 0 0 51 66 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 55 66 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 53 62 1 6 0 0 54 63 1 1 0 0 56 64 1 1 0 0 57 65 1 6 0 0 55 67 1 1 0 0 63 68 1 0 0 0 68 69 1 0 0 0 68 70 2 0 0 0 51 47 1 6 0 0 79 80 2 0 0 0 79 81 1 0 0 0 71 79 1 1 0 0 72 71 1 0 0 0 72 73 1 0 0 0 71 85 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 75 85 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 73 82 1 6 0 0 74 83 1 1 0 0 76 84 1 1 0 0 75 86 1 1 0 0 83 87 1 0 0 0 87 88 1 0 0 0 87 89 2 0 0 0 58 90 1 0 0 0 71 65 1 6 0 0 92 91 1 0 0 0 93 92 1 0 0 0 91 95 1 6 0 0 92 96 1 1 0 0 40 97 1 1 0 0 78 98 1 0 0 0 93 97 1 6 0 0 77 99 1 6 0 0 94100 1 0 0 0 102101 1 0 0 0 93102 1 0 0 0 102 94 1 1 0 0 103 91 1 0 0 0 103101 1 0 0 0 106112 1 1 0 0 107113 1 1 0 0 108114 1 6 0 0 109 48 1 1 0 0 105104 1 1 0 0 106105 1 0 0 0 107106 1 0 0 0 108107 1 0 0 0 109108 1 0 0 0 111109 1 0 0 0 105111 1 0 0 0 110104 1 0 0 0 114115 1 0 0 0 115116 2 0 0 0 115117 1 0 0 0 103 39 1 1 0 0 38118 1 0 0 0 123129 1 0 0 0 128122 1 0 0 0 122124 1 0 0 0 124125 1 0 0 0 125126 1 0 0 0 126127 1 0 0 0 127128 1 0 0 0 128129 1 1 0 0 124113 1 1 0 0 125119 1 6 0 0 126120 1 1 0 0 127121 1 1 0 0 118130 1 0 0 0 130131 1 0 0 0 M END > LMSP0601AQ02 > GD1b(d18:1/18:0) > Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C84H148N4O39 > 1836.97 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > UXKZRIMBSGILRR-IPNFLAEBSA-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)44-116-78-69(110)67(108)71(56(42-93)119-78)121-80-70(111)76(72(57(43-94)120-80)122-77-61(87-47(5)97)73(64(105)54(40-91)117-77)123-79-68(109)66(107)63(104)53(39-90)118-79)127-84(82(114)115)37-51(100)60(86-46(4)96)75(126-84)65(106)55(41-92)124-83(81(112)113)36-50(99)59(85-45(3)95)74(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]3O[C@@H]([C@@H]([C@@H]([C@H]3NC(C)=O)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)O)CO)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](O[C@]4(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > 90238 > Hex(3)-HexNAc-NeuAc(2)-Cer 36:1;O2 > - > SLM:000487332 > 44262093 > - > - > - > - > - > - > - $$$$