LMFA07050315 LIPID_MAPS_STRUCTURE_DATABASE 44 46 0 0 0 999 V2000 13.6376 -5.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8295 -4.7030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3289 -6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0213 -5.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3301 -6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9160 -7.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4701 -10.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -10.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -10.6822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 -10.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -10.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 -8.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 -9.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 -7.6856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9094 -7.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7743 -7.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 -6.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -4.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 -5.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 -4.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7743 -6.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 -5.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -5.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3672 -5.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3650 -5.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3684 -4.6888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3684 -6.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3661 -4.6888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3661 -6.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3684 -5.6877 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.3661 -5.6877 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0713 -4.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7428 -7.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5875 -4.9814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3300 -5.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9939 -4.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1949 -5.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3300 -6.6487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9873 -4.1733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0600 -5.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1950 -7.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0600 -6.6485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9250 -5.1502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2346 -10.1828 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 34 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 44 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 35 34 1 0 0 0 36 34 1 0 0 0 37 35 2 0 0 0 38 35 1 0 0 0 39 36 2 0 0 0 40 37 1 0 0 0 39 37 1 0 0 0 41 38 2 0 0 0 42 40 2 0 0 0 43 40 1 0 0 0 42 41 1 0 0 0 M END > LMFA07050315 > Dephospho-CoA > [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphinic acid > C21H35N7O13P2S > 687.15 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > C00882 > HMDB0001373 > - > 15468 > - > - > - > - > - > 444485 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMFA07050315 $$$$