LMFA01160010 LIPID_MAPS_STRUCTURE_DATABASE 91 91 0 0 0 0 0 0 0 0999 V2000 5.0000 10.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 9.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 10.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1433 9.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 10.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 9.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 10.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 9.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7159 10.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4303 9.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1447 10.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8592 9.9498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8592 9.1249 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8579 8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 9.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 9.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7159 8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4303 9.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1447 8.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8579 7.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 7.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 7.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 7.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7159 7.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4303 7.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 11.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 11.5998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2869 11.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5723 11.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 11.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1433 11.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 11.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 11.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1448 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8593 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5738 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2881 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0025 7.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0025 8.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7172 7.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4317 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1462 7.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4317 8.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7172 6.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0025 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2881 6.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5738 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8593 6.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1448 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4302 6.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7158 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 6.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 6.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 6.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2881 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5738 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8593 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1448 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4302 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7158 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0027 5.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7173 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8592 8.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5737 10.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4317 12.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7174 12.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0028 12.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2883 12.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5737 12.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8595 12.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1449 12.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4303 12.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7159 12.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 12.4249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4316 13.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7171 14.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0026 13.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2880 14.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5737 13.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8592 14.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1448 13.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 14.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7159 11.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7159 13.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2870 12.8374 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 12 13 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 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 14 21 1 0 0 0 0 1 27 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 27 1 0 0 0 0 26 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 1 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 41 45 1 6 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 56 66 1 0 0 0 0 57 67 1 0 0 0 0 67 68 1 0 0 0 0 20 69 1 1 0 0 0 13 20 1 0 0 0 0 13 69 1 1 0 0 0 12 70 1 1 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 71 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 80 28 1 0 0 0 0 28 89 1 1 0 0 0 88 90 1 0 0 0 0 80 91 1 1 0 0 0 M END > LMFA01160010 > (2R)-2-[(1R)-1-hydroxy-17-{(1R,2R)-2-[(2R,21S,22S)-21-hydroxy-22-methyltetracontan-2-yl]cyclopropyl}heptadecyl]hexacosanoic acid > (2R)-2-[(1R)-1-hydroxy-17-{(1R,2R)-2-[(2R,21S,22S)-21-hydroxy-22-methyltetracontan-2-yl]cyclopropyl}heptadecyl]hexacosanoic acid > C87H172O4 > 1281.33 > Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01] > Mycolic acids [FA0116] > - > > VQIFBMCPLMTMMN-GZMMDVSMSA-N > InChI=1S/C87H172O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-33-40-46-52-58-64-70-76-83(87(90)91)86(89)78-72-66-60-54-48-42-36-35-39-45-51-57-63-69-75-82-79-84(82)80(3)73-67-61-55-49-43-37-32-29-30-34-41-47-53-59-65-71-77-85(88)81(4)74-68-62-56-50-44-38-31-22-20-18-16-14-12-10-8-6-2/h80-86,88-89H,5-79H2,1-4H3,(H,90,91)/t80-,81+,82-,83-,84-,85+,86-/m1/s1 > C(CCCCCCC[C@H](O)[C@@H](C)CCCCCCCCCCCCCCCCCC)CCCCCCCCCC[C@@H](C)[C@H]1C[C@H]1CCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCCCCCCCC)C(=O)O)O > - > - > 62597 > FA 87:1;O2 > - > - > 53262345 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]; Carbocyclic fatty acids [FA0114] > -; -; - > - > - $$$$