LMST04030244 LIPID_MAPS_STRUCTURE_DATABASE 85 91 0 0 0 999 V2000 13.0947 4.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0886 7.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1405 6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 5.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0469 6.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0430 5.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9393 5.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9431 6.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9969 7.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0916 5.9748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0122 7.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9851 8.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9286 8.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9983 9.2359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8525 8.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7804 8.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7045 8.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 8.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0418 4.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7045 7.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2078 4.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2078 3.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 3.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0947 3.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2715 5.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3351 4.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3351 3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2715 3.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2078 5.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3988 3.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9312 7.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1505 8.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1502 4.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2048 2.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1497 2.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5864 8.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7843 9.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3018 15.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5649 16.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0203 14.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8279 15.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1095 14.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5557 14.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8545 11.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6746 10.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0656 10.8391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2769 11.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4882 10.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0969 12.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2769 12.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0969 13.5715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5194 13.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3081 14.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8859 14.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6415 16.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0969 15.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5523 16.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3081 14.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5194 15.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6746 15.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4962 15.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3178 15.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5854 16.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5854 14.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4070 16.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4070 14.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5854 15.3932 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.4070 15.3932 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.9619 16.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5741 14.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 13.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4849 13.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5741 13.2419 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.5741 12.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1679 16.0372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.8450 15.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5385 16.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6337 15.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8450 14.5170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4442 16.7741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4225 15.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6338 14.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4225 14.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.2112 15.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6838 9.7351 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 1 10 1 1 0 0 0 5 11 1 1 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 6 19 1 6 0 0 0 17 20 1 0 0 0 0 4 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 1 1 0 0 0 0 21 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 22 1 0 0 0 0 21 29 1 1 0 0 0 27 30 1 1 0 0 0 9 31 1 6 0 0 0 12 32 1 6 0 0 0 4 33 1 6 0 0 0 22 34 1 6 0 0 23 35 1 1 0 0 18 36 2 0 0 0 16 37 1 1 0 0 38 75 1 1 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 40 43 1 6 0 0 0 41 69 1 1 0 0 0 42 41 1 0 0 0 0 42 70 1 6 0 0 0 46 44 1 0 0 0 0 44 45 1 0 0 0 0 47 46 1 0 0 0 0 50 47 1 0 0 0 0 47 48 2 0 0 0 0 49 51 1 0 0 0 0 50 49 1 0 0 0 0 53 51 1 0 0 0 0 53 52 2 0 0 0 0 53 58 1 0 0 0 0 56 54 1 0 0 0 0 54 60 1 0 0 0 0 56 55 1 0 0 0 0 58 56 1 0 0 0 0 56 57 1 0 0 0 0 58 59 1 6 0 0 0 60 67 1 0 0 0 0 67 61 1 0 0 0 0 61 68 1 0 0 0 0 68 62 1 0 0 0 0 69 62 1 0 0 0 0 67 63 2 0 0 0 0 67 64 1 0 0 0 0 68 65 2 0 0 0 0 68 66 1 0 0 0 0 70 73 1 0 0 0 0 73 71 1 0 0 0 0 73 72 1 0 0 0 0 73 74 2 0 0 0 0 76 75 1 0 0 0 0 77 75 1 0 0 0 0 78 76 2 0 0 0 0 79 76 1 0 0 0 0 80 77 2 0 0 0 0 81 78 1 0 0 0 0 80 78 1 0 0 0 0 82 79 2 0 0 0 0 83 81 2 0 0 0 0 84 81 1 0 0 0 0 83 82 1 0 0 0 0 45 85 1 0 0 0 18 85 1 0 0 0 M END > LMST04030244 > 3beta,5alpha,6beta,24R-Tetrahydroxycholestan-(25R)26-oyl CoA > 3beta,5alpha,6beta,24R-Tetrahydroxycholestan-(25R)26-oyl CoA > C48H80N7O21P3S > 1215.43 > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C27 bile acids, alcohols, and derivatives [ST0403] > - > > - > - > - > - > - > - > - > - > - > 171119008 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMST04030244 $$$$