LMFA07050102 LIPID_MAPS_STRUCTURE_DATABASE 85 91 0 0 0 0 999 V2000 14.9566 -48.2356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2891 -47.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7016 -49.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6216 -48.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8766 -49.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1866 -49.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2109 -52.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9537 -52.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 -52.6891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7819 -52.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0675 -52.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5247 -51.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7819 -51.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5247 -50.2141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -50.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8102 -49.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2393 -48.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1122 -47.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5247 -48.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9372 -47.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8102 -48.9765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0958 -48.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9537 -48.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6037 -48.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2537 -48.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7787 -47.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7787 -49.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4287 -47.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4287 -49.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7787 -48.5640 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.4287 -48.5640 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.8371 -47.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3917 -49.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5667 -50.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2167 -50.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3917 -50.5127 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3917 -51.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7411 -47.9807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3544 -48.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0768 -47.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0688 -48.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3544 -49.3577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8972 -47.3132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7833 -48.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0689 -49.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7833 -49.3576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4977 -48.1201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6681 -52.2766 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3827 -53.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3827 -52.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0972 -51.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0972 -52.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8115 -52.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5260 -52.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 -52.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 -55.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 -55.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 -57.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 -57.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 -54.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 -55.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7254 -55.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5260 -53.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 -53.5142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9550 -53.1017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -56.6566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3125 -57.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3125 -55.8316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3125 -55.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 -54.5941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4559 -53.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 -56.6566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1691 -57.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7414 -56.6566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4559 -57.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7414 -55.8316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7414 -55.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 -55.4191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0270 -56.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 -55.4191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4559 -56.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 -54.3392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0374 -54.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7414 -54.1815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5279 -53.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 43 41 1 0 0 0 0 45 42 2 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 46 45 1 0 0 0 0 48 50 1 0 0 0 0 50 49 2 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 64 55 1 6 0 0 0 82 64 1 0 0 0 0 56 57 1 0 0 0 0 56 68 1 0 0 0 0 57 72 1 0 0 0 0 72 58 1 0 0 0 0 58 66 1 0 0 0 0 78 68 1 0 0 0 0 68 66 1 0 0 0 0 66 59 1 0 0 0 0 59 74 1 0 0 0 0 74 76 1 0 0 0 0 76 80 1 0 0 0 0 78 76 1 0 0 0 0 60 78 1 0 0 0 0 84 60 1 0 0 0 0 84 70 1 0 0 0 0 80 61 1 0 0 0 0 70 80 1 0 0 0 0 82 70 1 0 0 0 0 82 62 1 0 0 0 0 61 62 1 0 0 0 0 64 63 1 0 0 0 0 64 65 1 0 0 0 0 66 67 1 1 0 0 0 68 69 1 1 0 0 0 70 71 1 1 0 0 0 72 73 1 6 0 0 0 74 75 1 6 0 0 0 76 77 1 1 0 0 0 78 79 1 6 0 0 0 80 81 1 6 0 0 0 82 83 1 6 0 0 0 84 85 1 6 0 0 0 M END > LMST04030229 > (24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} > C48H78N7O20P3S > 1197.42 > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C27 bile acids, alcohols, and derivatives [ST0403] > - > > - > - > - > 52432 > - > - > SLM:000485374 > - > - > 46224544 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMST04030229 $$$$