LMSP06000006 LIPID_MAPS_STRUCTURE_DATABASE 87 91 0 0 0 0 0 0 0 0999 V2000 16.3543 -10.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4827 -9.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6109 -10.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8581 -11.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8504 -11.1442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2261 -9.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9374 -11.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9374 -12.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9572 -8.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9970 -8.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0591 -11.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1805 -11.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3020 -11.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4236 -11.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5450 -11.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6665 -11.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 -11.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9096 -11.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0311 -11.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1526 -11.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 -11.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3956 -11.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -11.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0591 -10.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7320 -9.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8535 -10.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3214 -8.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7207 -6.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0732 -4.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6524 -7.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5613 -4.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9748 -7.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9977 -7.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6979 -6.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3741 -5.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3512 -6.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0276 -5.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2262 -8.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0195 -5.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2066 -5.7023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6189 -4.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8836 -2.5020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3943 -3.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2640 -4.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3390 -4.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5439 -4.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6764 -3.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6014 -2.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7339 -1.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0210 0.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9758 -0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5726 -2.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9076 -2.4565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1813 -3.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6048 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3195 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2990 -0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5974 -1.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9205 -2.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2191 -3.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1916 0.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9317 2.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5190 4.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7055 1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0625 4.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9098 1.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9852 1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8562 2.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6499 3.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5744 2.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3681 3.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6205 -1.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0052 -9.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1306 -10.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2561 -9.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3817 -10.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5072 -9.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 -10.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -9.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8837 -9.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 -10.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1347 -9.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2603 -10.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3858 -9.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 -10.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6368 -9.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3055 -8.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 5 1 6 0 0 1 4 1 1 0 0 6 1 1 0 0 0 7 8 2 0 0 0 7 5 1 0 0 0 2 9 1 1 0 0 2 10 1 6 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 11 24 1 6 0 0 3 25 1 0 0 0 25 26 1 0 0 0 31 37 1 0 0 0 36 30 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 1 0 0 33 27 1 6 0 0 34 28 1 1 0 0 35 29 1 6 0 0 6 38 1 0 0 0 32 38 1 6 0 0 37 39 2 0 0 0 48 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 1 0 0 45 40 1 6 0 0 46 41 1 1 0 0 47 42 1 6 0 0 44 29 1 6 0 0 54 60 1 0 0 0 59 53 1 0 0 0 53 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 1 0 0 56 50 1 6 0 0 57 51 1 1 0 0 58 52 1 1 0 0 65 71 1 0 0 0 70 64 1 0 0 0 64 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 1 0 0 67 61 1 1 0 0 68 62 1 1 0 0 69 63 1 6 0 0 66 50 1 6 0 0 49 72 1 0 0 0 55 72 1 6 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 26 73 1 0 0 0 80 87 1 0 0 0 79 87 1 0 0 0 M END > LMSP06000006 > > Manalpha1-2Galalpha1-6GlcNalpha1-4GlcAalpha-Cer(d21:1(13cy3)/14:0(2OH[S])) > C59H108N2O24 > 1228.73 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Other Acidic glycosphingolipids [SP0600] > - > > DGQHPSAPPOUWQY-LRURYMCRSA-N > InChI=1S/C59H108N2O24/c1-3-5-7-9-10-11-12-15-19-23-27-37(65)54(75)61-35(36(64)26-22-18-16-13-14-17-21-25-34-28-33(34)24-20-8-6-4-2)31-78-57-50(74)48(72)51(53(85-57)55(76)77)83-56-41(60)45(69)44(68)40(82-56)32-79-59-52(47(71)43(67)39(30-63)81-59)84-58-49(73)46(70)42(66)38(29-62)80-58/h33-53,56-59,62-74H,3-32,60H2,1-2H3,(H,61,75)(H,76,77)/t33?,34?,35-,36+,37-,38+,39+,40+,41+,42+,43-,44+,45+,46-,47-,48+,49-,50+,51-,52+,53-,56+,57-,58+,59-/m0/s1 > [C@](CO[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H](N)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3[C@H](O[C@@H]4[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@@H](O)[C@@H](CO)O3)O2)[C@@H](C(=O)O)O1)([H])(NC([C@@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCC1CC1CCCCCC > - > - > - > - > - > - > 178332890 > - > - > - > - > - > 13689 > 1959589 $$$$