LMSP0506BE03 LIPID_MAPS_STRUCTURE_DATABASE 102106 0 0 0 999 V2000 0.2773 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 -0.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 -0.3521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1653 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 -1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1048 1.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1029 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8372 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5716 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3059 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0402 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7745 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5088 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2432 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9775 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7118 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4461 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1805 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9668 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7011 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4354 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1697 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6384 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3727 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1070 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8413 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5757 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3100 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0443 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7786 0.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1653 6.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 6.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 5.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 5.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8943 6.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 7.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7996 7.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 4.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 4.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 6.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3645 7.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3844 8.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9186 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5743 5.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5786 5.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9274 6.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 7.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5599 8.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2255 4.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4141 5.1639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9318 6.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2675 7.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0257 8.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4185 5.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0742 4.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0785 4.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4273 5.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7718 6.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0554 7.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7254 3.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9140 4.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4317 5.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7674 6.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5256 7.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9184 4.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5741 3.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5784 3.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9272 4.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2717 5.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5553 6.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2253 2.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4139 3.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9316 4.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2673 5.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0212 6.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4183 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0740 2.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0783 2.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4271 3.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7716 4.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0552 5.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7251 1.5774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.9138 2.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.4315 3.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7672 4.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5211 5.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.4927 1.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8503 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3420 1.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8657 -0.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6000 -0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3343 -0.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0687 -0.3877 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 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 0 0 41 42 1 0 0 0 43 42 1 0 0 0 44 43 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 45 50 1 0 0 0 41 50 1 0 0 0 42 47 1 6 0 0 43 48 1 1 0 0 44 49 1 6 0 0 46 51 1 0 0 0 41 40 1 1 0 0 52 53 1 0 0 0 54 53 1 0 0 0 55 54 1 0 0 0 55 56 1 0 0 0 56 57 1 1 0 0 56 61 1 0 0 0 52 61 1 0 0 0 53 58 1 6 0 0 54 59 1 1 0 0 55 60 1 1 0 0 57 62 1 0 0 0 52 49 1 1 0 0 63 64 1 0 0 0 65 64 1 0 0 0 66 65 1 0 0 0 66 67 1 0 0 0 67 68 1 1 0 0 67 72 1 0 0 0 63 72 1 0 0 0 64 69 1 6 0 0 65 70 1 1 0 0 66 71 1 1 0 0 68 73 1 0 0 0 63 59 1 6 0 0 74 75 1 0 0 0 76 75 1 0 0 0 77 76 1 0 0 0 77 78 1 0 0 0 78 79 1 1 0 0 78 83 1 0 0 0 74 83 1 0 0 0 75 80 1 6 0 0 76 81 1 1 0 0 77 82 1 1 0 0 79 84 1 0 0 0 74 70 1 6 0 0 85 86 1 0 0 0 87 86 1 0 0 0 88 87 1 0 0 0 88 89 1 0 0 0 89 90 1 1 0 0 89 94 1 0 0 0 85 94 1 0 0 0 86 91 1 6 0 0 87 92 1 1 0 0 88 93 1 1 0 0 90 95 1 0 0 0 91 96 1 0 0 0 96 97 1 0 0 0 96 98 2 0 0 0 85 81 1 1 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 25 99 1 0 0 0 0 M END > LMSP0506BE03 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C70H128N2O28 > 1444.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > RWQQOJWPARVDNU-XBUURHDGSA-N > InChI=1S/C70H128N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(80)72-43(44(79)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-91-67-58(87)57(86)62(49(40-77)96-67)97-68-60(89)64(54(83)47(38-75)93-68)99-70-61(90)65(55(84)48(39-76)95-70)100-69-59(88)63(53(82)46(37-74)94-69)98-66-51(71-42(3)78)56(85)52(81)45(36-73)92-66/h32,34,43-49,51-70,73-77,79,81-90H,4-31,33,35-41H2,1-3H3,(H,71,78)(H,72,80)/b34-32+/t43-,44+,45+,46+,47+,48+,49+,51+,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67+,68-,69+,70+/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](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(=O)C)[C@H]4O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > - > - > - > 44261662 > - > - > - > - > - > - > - $$$$