LMSP0506BG03 LIPID_MAPS_STRUCTURE_DATABASE 105109 0 0 0 0 0 0 0 0999 V2000 18.9410 -9.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0514 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1614 -9.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4554 -10.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4268 -10.5726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8312 -9.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4947 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4947 -12.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5358 -8.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5555 -8.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7585 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0224 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2863 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5502 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8141 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0780 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3419 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6058 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8697 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1336 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3975 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6614 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9253 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4531 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9809 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 -11.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 -10.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4252 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6891 -9.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9530 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2169 -9.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4808 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7447 -9.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0086 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2725 -9.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5364 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8003 -9.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0642 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3281 -9.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5920 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8559 -9.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8312 -4.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8088 -4.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2976 -4.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2753 -4.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7641 -4.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2753 -3.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8591 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8087 -5.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5523 -5.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7418 -4.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2977 -3.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2753 -1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7194 -4.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2081 -4.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1858 -4.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6747 -4.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1858 -3.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7696 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7193 -5.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4628 -5.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6523 -4.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2082 -3.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1858 -1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4405 -5.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9069 -6.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -5.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9069 -4.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4907 -4.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4404 -7.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 -7.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9293 -4.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1615 -7.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6503 -8.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -8.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1168 -7.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -6.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2118 -5.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1615 -9.0411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9050 -8.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0945 -7.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6504 -6.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -4.9392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4896 -9.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2472 -10.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6206 -9.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3734 -5.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4907 -4.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9326 -0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1140 -1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2070 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 -1.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4744 -2.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 -3.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6684 0.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2024 -2.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1188 -0.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4814 -1.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6559 -3.1891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 -2.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9302 -3.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6641 -1.7691 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 3 30 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 45 46 1 0 0 0 47 46 1 0 0 0 48 47 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 49 54 1 0 0 0 45 54 1 0 0 0 46 51 1 6 0 0 47 52 1 1 0 0 48 53 1 6 0 0 50 55 1 0 0 0 45 44 1 1 0 0 56 57 1 0 0 0 58 57 1 0 0 0 59 58 1 0 0 0 59 60 1 0 0 0 60 61 1 1 0 0 60 65 1 0 0 0 56 65 1 0 0 0 57 62 1 6 0 0 58 63 1 1 0 0 59 64 1 1 0 0 61 66 1 0 0 0 56 53 1 1 0 0 67 68 1 0 0 0 69 68 1 0 0 0 70 69 1 0 0 0 70 71 1 0 0 0 71 72 1 1 0 0 71 75 1 0 0 0 67 75 1 0 0 0 68 73 1 6 0 0 69 74 1 1 0 0 67 63 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 6 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 74 1 1 0 0 70 90 1 1 0 0 72 91 1 0 0 0 94100 1 1 0 0 95101 1 1 0 0 96102 1 6 0 0 93 92 1 1 0 0 94 93 1 0 0 0 95 94 1 0 0 0 96 95 1 0 0 0 97 96 1 0 0 0 99 97 1 0 0 0 93 99 1 0 0 0 98 92 1 0 0 0 97 64 1 1 0 0 102103 1 0 0 0 103104 1 0 0 0 103105 2 0 0 0 M END > LMSP0506BG03 > > GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C72H131N3O28 > 1485.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > NYPXDXOKJOZKCE-NHGKWNQGSA-N > InChI=1S/C72H131N3O28/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-52(84)75-45(46(83)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-94-70-61(91)60(90)64(50(40-79)98-70)100-72-63(93)67(65(51(41-80)99-72)101-68-53(73-43(3)81)58(88)55(85)47(37-76)95-68)103-71-62(92)66(57(87)49(39-78)97-71)102-69-54(74-44(4)82)59(89)56(86)48(38-77)96-69/h33,35,45-51,53-72,76-80,83,85-93H,5-32,34,36-42H2,1-4H3,(H,73,81)(H,74,82)(H,75,84)/b35-33+/t45-,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-/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]([C@@H]([C@@H]([C@H]3NC(=O)C)O)O)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]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > - > - > - > 178332834 > - > - > - > - > - > - > - $$$$