LMFA07050209 LIPID_MAPS_STRUCTURE_DATABASE 58 60 0 0 0 0 999 V2000 29.2704 -9.6492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.6030 -9.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0155 -10.4338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.9355 -9.6492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.1905 -10.4338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.5004 -11.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5247 -13.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2675 -14.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8102 -14.1027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0958 -13.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3813 -14.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8386 -12.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0958 -12.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8386 -11.6277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4097 -11.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1241 -11.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5531 -10.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4261 -9.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8386 -9.9776 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.2511 -9.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1241 -10.3901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4096 -9.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2675 -9.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9175 -9.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5675 -9.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0925 -9.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0925 -10.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7425 -9.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7425 -10.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0925 -9.9776 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.7425 -9.9776 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.1509 -9.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7055 -11.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8805 -11.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5305 -11.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7055 -11.9263 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.7055 -12.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0550 -9.3943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.6682 -9.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3906 -8.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3826 -9.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6682 -10.7713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.2111 -8.7268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.0971 -9.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3827 -11.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0971 -10.7712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.8115 -9.5337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9820 -13.6902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.6965 -14.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6965 -14.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4110 -13.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8399 -13.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5544 -14.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5544 -14.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2689 -13.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5379 -14.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1254 -14.1027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.7129 -14.8172 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 50 51 1 0 0 0 0 51 57 1 0 0 0 0 57 52 1 0 0 0 0 52 54 1 0 0 0 0 54 53 2 0 0 0 0 54 55 1 0 0 0 0 57 56 1 0 0 0 0 57 58 1 0 0 0 0 M END > LMFA07050209 > 3-hydroxy-3-methylglutaryl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C27H44N7O20P3S > 911.16 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > (4-carboxy-3-hydroxy-3-methylbutanoyl)-CoA;(4-carboxy-3-hydroxy-3-methylbutanoyl)-coenzyme A;3-hydroxy-3-methylglutaryl-coenzyme A > C00356 > HMDB01375 > - > 11814 > - > - > - > - > - > 91506 > - > - > Active > - > https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMFA07050209 $$$$