LMSP0502BH02 LIPID_MAPS_STRUCTURE_DATABASE 113118 0 0 0 999 V2000 5.7640 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8739 2.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2784 0.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 0.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6543 2.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3171 0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3171 -0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 2.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 2.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5303 0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6331 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9555 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7499 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5441 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4413 0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3386 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2355 0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1329 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1889 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5027 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3997 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0913 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9884 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8858 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7828 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6798 2.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5769 1.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6602 5.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 3.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 5.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2244 6.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 6.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7051 5.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2266 4.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 4.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 5.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2697 6.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 6.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8688 3.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0445 3.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 5.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 6.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 6.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 5.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3984 4.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4395 4.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 5.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 6.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 7.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 4.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2991 5.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 7.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 6.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 5.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 5.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4673 5.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4594 6.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6275 7.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 8.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7029 3.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8338 8.7821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1908 6.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5178 5.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4591 5.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0736 6.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7465 7.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8051 7.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4783 8.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0150 6.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7862 4.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9033 5.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3675 3.8517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2727 4.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0649 5.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6103 6.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9094 7.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2096 5.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7185 4.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1147 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5603 6.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9566 7.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4117 3.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9404 3.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7639 4.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9267 4.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4694 6.1146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2629 6.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5788 8.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0517 8.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0462 10.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8904 7.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5259 7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6838 8.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9467 8.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1047 9.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2067 5.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0487 4.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1023 5.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6275 7.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9876 0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8454 0.6820 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 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 0 44 50 1 0 0 0 49 43 1 0 0 0 43 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 0 0 0 49 50 1 1 0 0 47 41 1 1 0 0 48 42 1 6 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 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 0 0 0 60 61 1 1 0 0 56 42 1 1 0 0 57 51 1 6 0 0 58 52 1 1 0 0 59 53 1 1 0 0 70 65 1 0 0 0 65 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 66 53 1 6 0 0 67 62 1 6 0 0 68 63 1 1 0 0 69 64 1 1 0 0 46 72 1 6 0 0 71 73 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 74 1 0 0 0 79 80 1 1 0 0 77 81 1 6 0 0 76 82 1 6 0 0 75 83 1 6 0 0 88 93 1 0 0 0 92 87 1 0 0 0 87 89 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 1 0 0 90 85 1 1 0 0 91 86 1 1 0 0 84 94 1 0 0 0 94 95 2 0 0 0 96 84 1 6 0 0 89 96 1 0 0 0 96 90 1 0 0 0 94 97 1 0 0 0 89 63 1 1 0 0 102107 1 0 0 0 106101 1 0 0 0 101103 1 0 0 0 104105 1 0 0 0 105106 1 0 0 0 106107 1 1 0 0 104 99 1 1 0 0 105100 1 6 0 0 98108 1 0 0 0 108109 1 0 0 0 108110 2 0 0 0 111 98 1 6 0 0 103111 1 0 0 0 111104 1 0 0 0 103 88 1 1 0 0 74 99 1 1 0 0 45 40 1 1 0 0 25112 1 0 0 0 112113 1 0 0 0 M END > LMSP0502BH02 > > Fucalpha2-3GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O32 > 1603.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > FDVCGKNROPHSFA-YZNIVCSNSA-N > InChI=1S/C76H137N3O32/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-52(87)79-45(46(86)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)40-100-74-63(96)61(94)66(49(38-82)105-74)109-75-64(97)62(95)67(50(39-83)106-75)110-76-65(98)69(58(91)48(37-81)104-76)111-73-53(77-43(4)84)59(92)56(89)51(107-73)41-101-72-54(78-44(5)85)68(57(90)47(36-80)103-72)108-70-60(93)55(88)42(3)102-71(70)99/h32,34,42,45-51,53-76,80-83,86,88-99H,6-31,33,35-41H2,1-5H3,(H,77,84)(H,78,85)(H,79,87)/b34-32+/t42-,45-,46+,47+,48+,49+,50+,51+,53+,54+,55+,56-,57+,58-,59+,60+,61+,62+,63+,64+,65+,66+,67-,68+,69-,70-,71+,72+,73-,74+,75-,76+/m0/s1 > [C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@H]4[C@@H]([C@@H](O)[C@@H](O)[C@@H](CO[C@H]5[C@@H]([C@@H](O[C@@H]6[C@H](O)O[C@@H](C)[C@@H](O)[C@H]6O)[C@H](O)[C@@H](CO)O5)NC(=O)C)O4)NC(C)=O)[C@@H](O)[C@@H](CO)O3)[C@@H](CO)O2)[C@@H](CO)O1)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc(2)-Fuc-Cer 36:1;O2 > - > - > 178331380 > - > - > - > - > - > - > - $$$$