LMSP0502AB01 LIPID_MAPS_STRUCTURE_DATABASE 87 90 0 0 0 0 0 0 0 0999 V2000 0.2757 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4893 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 -0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1585 1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1587 -0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1587 -1.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1262 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0984 1.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8889 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6189 -0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5391 -0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2692 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9992 -0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4593 -0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1893 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9194 -0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6494 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3795 -0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1095 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2194 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9495 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6795 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4096 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1396 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8697 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5997 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3297 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0598 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7898 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5199 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2499 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9800 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7100 0.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1585 6.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1446 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3763 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3763 6.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7891 7.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 4.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0934 4.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8973 6.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 6.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3763 8.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9112 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4183 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4321 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9391 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4321 6.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8449 7.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 4.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1492 4.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9531 6.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4182 6.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4321 8.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9670 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4741 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4879 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9949 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4879 6.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9007 7.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9671 4.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2050 4.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0089 6.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4740 6.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4879 8.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2190 4.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7260 3.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7399 3.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2469 4.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7399 5.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1527 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2190 2.7639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4570 2.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2608 4.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7259 5.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7399 6.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8853 2.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1340 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7472 2.1737 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 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 60 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 80 85 1 0 0 0 85 86 1 0 0 0 85 87 2 0 0 0 74 70 1 1 0 0 M END > LMSP0502AB01 > Globoside I(d18:1/16:0) > GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C60H110N2O23 > 1226.75 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > Cytolipin K(d18:1/16:0); Gb4 d18:1/16:0 > BLRBAJXLYBVISP-XPTZFRITSA-N > InChI=1S/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-51(75)49(73)54(42(34-65)81-58)83-59-52(76)50(74)55(43(35-66)82-59)84-60-53(77)56(47(71)41(33-64)80-60)85-57-45(61-37(3)67)48(72)46(70)40(32-63)79-57/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40+,41+,42+,43+,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55-,56-,57-,58+,59-,60+/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(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > 132968 > Hex(3)-HexNAc-Cer 34:1;O2 > - > - > 124202368 > - > - > - > - > - > - > - $$$$