LMSP0502BM05 LIPID_MAPS_STRUCTURE_DATABASE 116121 0 0 0 999 V2000 18.8176 7.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9034 6.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9401 7.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3546 8.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9561 9.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8407 7.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3570 6.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3869 6.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9056 7.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3892 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9076 9.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9609 6.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0257 6.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0744 7.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4946 8.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1009 9.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9748 7.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4852 6.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5152 7.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0397 7.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5293 8.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0536 9.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0950 6.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1598 6.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2084 7.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6288 8.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1089 7.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6194 7.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6494 7.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1738 7.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6634 8.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1877 9.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4492 7.0659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 8.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 10.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5107 9.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 11.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 8.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7513 8.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8434 9.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7232 9.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 10.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5697 6.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4774 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7508 6.6102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 6.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 8.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5054 9.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9106 8.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 7.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 7.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 8.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5443 9.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 10.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 7.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8387 6.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6007 10.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6311 10.9608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5412 8.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 6.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 5.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9902 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7821 5.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 6.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8216 6.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7374 7.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 5.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 4.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 4.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0371 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1660 4.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2946 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5404 3.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5333 3.2977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9083 4.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6209 2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6209 1.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7499 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8723 2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9943 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1162 2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2383 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3601 2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4821 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6041 2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8481 2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9699 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0919 2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3359 2.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4579 3.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4161 4.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5381 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6601 4.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7820 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9040 4.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0259 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1479 4.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3918 4.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6357 4.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7577 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8798 4.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0018 4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6804 5.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6401 5.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7258 3.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 3.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 2.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7383 3.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6028 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4703 3.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 10 4 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 1 0 0 8 2 1 1 0 0 9 3 1 6 0 0 16 22 1 0 0 0 21 15 1 0 0 0 15 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 1 0 0 17 3 1 1 0 0 18 12 1 6 0 0 19 13 1 1 0 0 20 14 1 1 0 0 31 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 27 14 1 6 0 0 28 23 1 6 0 0 29 24 1 1 0 0 30 25 1 1 0 0 37 42 1 0 0 0 41 36 1 0 0 0 36 38 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 1 0 0 38 25 1 1 0 0 39 34 1 1 0 0 40 35 1 1 0 0 33 43 1 0 0 0 43 44 1 0 0 0 53 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 49 34 1 1 0 0 50 45 1 6 0 0 51 46 1 1 0 0 52 47 1 1 0 0 43 55 2 0 0 0 7 56 1 6 0 0 32 57 1 0 0 0 6 1 1 1 0 0 54 58 1 0 0 0 59 33 1 6 0 0 38 59 1 0 0 0 59 39 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 60 1 0 0 0 65 66 1 1 0 0 63 67 1 6 0 0 62 68 1 6 0 0 61 69 1 6 0 0 60 46 1 1 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 70 74 1 6 0 0 0 70 73 1 1 0 0 0 75 70 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 76 74 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 72 93 2 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 71107 1 6 0 0 0 71108 1 1 0 0 0 75 1 1 0 0 0 0 92109 1 0 0 0 109110 1 0 0 0 110111 1 0 0 0 111112 1 0 0 0 112113 1 0 0 0 113114 1 0 0 0 114115 1 0 0 0 115116 1 0 0 0 M END > LMSP0502BM05 > > Fucalpha2-3Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C80H146N2O32 > 1646.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > WFUKWYAIEKGDRO-MDAMYSIMSA-N > InChI=1S/C80H146N2O32/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(90)82-49(50(89)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-103-77-65(98)62(95)70(53(43-85)107-77)112-79-67(100)64(97)71(55(45-87)109-79)113-78-66(99)63(96)69(54(44-86)108-78)111-76-57(81-48(4)88)72(59(92)51(41-83)105-76)114-80-68(101)73(60(93)52(42-84)106-80)110-74-61(94)58(91)47(3)104-75(74)102/h37,39,47,49-55,57-80,83-87,89,91-102H,5-36,38,40-46H2,1-4H3,(H,81,88)(H,82,90)/b39-37+/t47-,49-,50+,51+,52+,53+,54+,55+,57+,58+,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69-,70+,71-,72+,73-,74-,75+,76-,77+,78+,79-,80-/m0/s1 > O(C[C@]([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@@](O)([H])/C=C/CCCCCCCCCCCCC)[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](O[C@H]4[C@@H]([C@@H](O[C@H]5[C@H](O)[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)[C@@H](O)[C@@H](CO)O4)NC(=O)C)[C@@H](CO)O3)[C@@H](CO)O2)[C@@H](CO)O1 > - > - > - > Hex(4)-HexNAc-Fuc-Cer 42:1;O2 > - > - > 44260472 > - > - > - > - > - > - > - $$$$