LMSP0502AB02 LIPID_MAPS_STRUCTURE_DATABASE 89 92 0 0 0 0 0 0 0 0999 V2000 0.2763 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4926 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 -0.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2348 -0.3508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 -1.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1265 1.8768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 1.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8931 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6248 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3565 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8198 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5515 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2832 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0149 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7466 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4782 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2099 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9416 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6733 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4050 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1366 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8683 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6000 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2244 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6878 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4195 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1511 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8828 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6145 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3462 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0779 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8095 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5412 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2729 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0046 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7363 0.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 6.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1449 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3633 5.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 5.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7931 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1448 4.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 4.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9038 6.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3632 7.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3794 8.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4282 5.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4443 5.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9524 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4443 7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9201 4.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 4.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9686 6.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4281 7.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4443 8.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9849 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4931 5.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5092 5.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0173 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5092 7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9229 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9850 4.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2279 4.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0335 6.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4930 7.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5092 8.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2441 4.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7523 3.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7684 3.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2765 4.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7684 5.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1821 6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2441 2.7701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4871 2.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2928 4.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7522 5.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7684 6.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9120 2.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1589 1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7757 2.1786 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 3 28 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 43 44 1 0 0 0 45 44 1 0 0 0 46 45 1 0 0 0 46 47 1 0 0 0 47 48 1 1 0 0 47 52 1 0 0 0 43 52 1 0 0 0 44 49 1 6 0 0 45 50 1 1 0 0 46 51 1 6 0 0 48 53 1 0 0 0 43 42 1 1 0 0 54 55 1 0 0 0 56 55 1 0 0 0 57 56 1 0 0 0 57 58 1 0 0 0 58 59 1 1 0 0 58 63 1 0 0 0 54 63 1 0 0 0 55 60 1 6 0 0 56 61 1 1 0 0 57 62 1 1 0 0 59 64 1 0 0 0 54 51 1 1 0 0 65 66 1 0 0 0 67 66 1 0 0 0 68 67 1 0 0 0 68 69 1 0 0 0 69 70 1 1 0 0 69 74 1 0 0 0 65 74 1 0 0 0 66 71 1 6 0 0 67 72 1 1 0 0 68 73 1 1 0 0 70 75 1 0 0 0 65 62 1 6 0 0 76 77 1 0 0 0 78 77 1 0 0 0 79 78 1 0 0 0 79 80 1 0 0 0 80 81 1 1 0 0 80 85 1 0 0 0 76 85 1 0 0 0 77 82 1 6 0 0 78 83 1 1 0 0 79 84 1 1 0 0 81 86 1 0 0 0 82 87 1 0 0 0 87 88 1 0 0 0 87 89 2 0 0 0 76 72 1 1 0 0 M END > LMSP0502AB02 > Globoside I(d18:1/18:0) > GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C62H114N2O23 > 1254.78 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > Cytolipin K(d18:1/18:0); Gb4 d18:1/18:0 > WQRPYKCGVLWFGH-FVJVODJNSA-N > InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62+/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(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > 52988 > Hex(3)-HexNAc-Cer 36:1;O2 > - > - > 44176392 > - > - > - > - > - > - > - $$$$