LMFA07050196 LIPID_MAPS_STRUCTURE_DATABASE 85 91 0 0 0 999 V2000 44.0594 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2510 -0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.7507 -1.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4424 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7513 -1.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3380 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8882 -5.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7879 -6.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0227 -6.2049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.1573 -5.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2918 -6.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0571 -4.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1573 -4.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0571 -3.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.3262 -3.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1916 -2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9226 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5574 -0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0571 -1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5567 -0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1916 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3261 -1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7879 -1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.7866 -1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.7853 -1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7873 -0.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7873 -2.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7860 -0.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7860 -2.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7873 -1.2081 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 39.7860 -1.2081 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 41.4920 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1638 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1645 -3.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.1632 -3.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1638 -3.5686 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 42.1638 -4.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.0098 -0.5015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 45.7526 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4164 0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.6180 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7526 -2.1695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 46.4102 0.3071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 47.4835 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.6181 -2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.4835 -2.1694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.3489 -0.6703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.6534 -5.7052 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 38.5189 -7.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.5189 -6.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3844 -4.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3844 -5.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2498 -7.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1153 -7.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7030 -11.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8376 -11.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7030 -13.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4340 -13.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4340 -10.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1153 -11.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7027 -10.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2498 -8.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1153 -8.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9808 -8.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5685 -12.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5685 -13.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5685 -11.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5685 -10.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1649 -10.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1649 -9.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2994 -9.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8376 -12.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9722 -13.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2994 -12.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1649 -13.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2994 -11.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2994 -10.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.4340 -11.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4340 -12.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.1649 -11.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1649 -12.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.1153 -9.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0806 -9.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.2498 -6.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1153 -5.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 3 6 1 6 0 0 4 32 1 1 0 0 5 4 1 0 0 0 5 33 1 6 0 0 9 7 1 0 0 0 7 8 1 0 0 0 8 48 1 0 0 0 10 9 1 0 0 0 13 10 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 13 12 1 0 0 0 16 14 1 0 0 0 16 15 2 0 0 0 16 21 1 0 0 0 19 17 1 0 0 0 17 23 1 0 0 0 19 18 1 0 0 0 21 19 1 0 0 0 19 20 1 0 0 0 21 22 1 6 0 0 23 30 1 0 0 0 30 24 1 0 0 0 24 31 1 0 0 0 31 25 1 0 0 0 32 25 1 0 0 0 30 26 2 0 0 0 30 27 1 0 0 0 31 28 2 0 0 0 31 29 1 0 0 0 33 36 1 0 0 0 36 34 1 0 0 0 36 35 1 0 0 0 36 37 2 0 0 0 39 38 1 0 0 0 40 38 1 0 0 0 41 39 2 0 0 0 42 39 1 0 0 0 43 40 2 0 0 0 44 41 1 0 0 0 43 41 1 0 0 0 45 42 2 0 0 0 46 44 2 0 0 0 47 44 1 0 0 0 46 45 1 0 0 0 48 50 1 0 0 0 50 49 2 0 0 0 50 52 1 0 0 0 52 51 1 0 0 0 52 84 1 0 0 0 84 53 1 0 0 0 53 54 1 0 0 0 63 54 1 6 0 0 82 63 1 0 0 0 55 56 1 0 0 0 55 67 1 0 0 0 56 72 1 0 0 0 72 57 1 0 0 0 57 65 1 0 0 0 78 67 1 0 0 0 67 65 1 0 0 0 65 58 1 0 0 0 58 74 1 0 0 0 74 76 1 0 0 0 76 80 1 0 0 0 78 76 1 0 0 0 59 78 1 0 0 0 71 59 1 0 0 0 71 69 1 0 0 0 80 60 1 0 0 0 69 80 1 0 0 0 82 69 1 0 0 0 82 61 1 0 0 0 60 61 1 0 0 0 63 62 1 0 0 0 63 64 1 0 0 0 65 66 1 1 0 0 67 68 1 1 0 0 69 70 1 1 0 0 72 73 1 6 0 0 74 75 1 6 0 0 76 77 1 1 0 0 78 79 1 6 0 0 80 81 1 6 0 0 82 83 1 6 0 0 84 85 1 0 0 0 M END > LMST04030234 > 3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA > {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-({6-[(2S,5R,7S,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-3-hydroxy-2-methylheptanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid > C48H80N7O20P3S > 1199.44 > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C27 bile acids, alcohols, and derivatives [ST0403] > - > > C05448 > HMDB12456 > - > 27403 > - > - > - > - > - > 46224536 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMST04030234 $$$$