LMSP0502AB06 LIPID_MAPS_STRUCTURE_DATABASE 97100 0 0 0 0 0 0 0 0999 V2000 0.2786 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2368 -0.3537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1275 1.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1098 1.9117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9085 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6461 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1214 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5967 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3343 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0719 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8096 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5472 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2848 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0224 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7601 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4977 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2353 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9730 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7106 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4482 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1859 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9235 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6611 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3987 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1364 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8740 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6116 -0.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7178 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4554 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9306 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6683 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4059 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1435 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8812 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6188 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3564 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0941 1.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8317 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 6.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 5.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 5.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 7.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8077 7.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 4.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1152 4.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 6.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 7.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3906 8.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 5.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4886 5.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0008 6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4886 7.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9057 7.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 4.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2131 4.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0253 6.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4641 7.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4886 8.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0498 6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5621 5.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5865 5.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0988 6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5865 7.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0036 7.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0499 4.4043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3110 4.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1233 6.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5620 7.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5865 8.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3355 4.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8479 3.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8723 3.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3845 4.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8723 5.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2893 6.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3355 2.7926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.5968 2.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4090 4.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8478 5.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8723 6.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0088 2.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2497 1.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8796 2.1963 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 25 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 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 3 36 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 51 52 1 0 0 0 53 52 1 0 0 0 54 53 1 0 0 0 54 55 1 0 0 0 55 56 1 1 0 0 55 60 1 0 0 0 51 60 1 0 0 0 52 57 1 6 0 0 53 58 1 1 0 0 54 59 1 6 0 0 56 61 1 0 0 0 51 50 1 1 0 0 62 63 1 0 0 0 64 63 1 0 0 0 65 64 1 0 0 0 65 66 1 0 0 0 66 67 1 1 0 0 66 71 1 0 0 0 62 71 1 0 0 0 63 68 1 6 0 0 64 69 1 1 0 0 65 70 1 1 0 0 67 72 1 0 0 0 62 59 1 1 0 0 73 74 1 0 0 0 75 74 1 0 0 0 76 75 1 0 0 0 76 77 1 0 0 0 77 78 1 1 0 0 77 82 1 0 0 0 73 82 1 0 0 0 74 79 1 6 0 0 75 80 1 1 0 0 76 81 1 1 0 0 78 83 1 0 0 0 73 70 1 6 0 0 84 85 1 0 0 0 86 85 1 0 0 0 87 86 1 0 0 0 87 88 1 0 0 0 88 89 1 1 0 0 88 93 1 0 0 0 84 93 1 0 0 0 85 90 1 6 0 0 86 91 1 1 0 0 87 92 1 1 0 0 89 94 1 0 0 0 90 95 1 0 0 0 95 96 1 0 0 0 95 97 2 0 0 0 84 80 1 1 0 0 M END > LMSP0502AB06 > Globoside I(d18:1/26:0) > GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C70H130N2O23 > 1366.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > Cytolipin K(d18:1/26:0); Gb4 d18:1/26:0 > FLMFNAJOWBHBBY-TVSNZRBZSA-N > InChI=1S/C70H130N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(79)72-48(49(78)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-88-68-61(85)59(83)64(52(44-75)91-68)93-69-62(86)60(84)65(53(45-76)92-69)94-70-63(87)66(57(81)51(43-74)90-70)95-67-55(71-47(3)77)58(82)56(80)50(42-73)89-67/h38,40,48-53,55-70,73-76,78,80-87H,4-37,39,41-46H2,1-3H3,(H,71,77)(H,72,79)/b40-38+/t48-,49+,50+,51+,52+,53+,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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(=O)C)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-Cer 44:1;O2 > - > - > 178331131 > - > - > - > - > - > - > - $$$$