LMFA07050277 LIPID_MAPS_STRUCTURE_DATABASE 59 61 0 0 0 0 999 V2000 29.7175 -1.8555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.0501 -1.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4626 -2.6401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.3826 -1.8555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6376 -2.6401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.9475 -3.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9718 -5.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7146 -6.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2573 -6.3090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5429 -5.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8284 -6.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2857 -4.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5429 -5.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2857 -3.8340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8568 -3.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5712 -3.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0002 -2.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8732 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2857 -2.1839 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.6982 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5712 -2.5964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8567 -2.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7146 -2.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3646 -2.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0146 -2.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5396 -1.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5396 -3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1896 -1.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1896 -3.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5396 -2.1839 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.1896 -2.1839 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.5980 -1.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1526 -3.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3276 -4.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9776 -4.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1526 -4.1326 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 28.1526 -4.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5021 -1.6006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.1153 -2.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8377 -0.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8297 -1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1153 -2.9776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6582 -0.9331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.5442 -2.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8298 -3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5442 -2.9775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.2586 -1.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4291 -5.8965 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.8580 -5.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2870 -5.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0015 -6.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7159 -5.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1449 -5.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4304 -6.3090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 29.4304 -7.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1436 -6.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1436 -7.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5725 -6.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5725 -7.1340 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 56 1 0 0 0 0 56 49 1 0 0 0 0 49 58 1 0 0 0 0 58 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 54 1 0 0 0 0 54 53 1 0 0 0 0 54 55 1 0 0 0 0 56 57 2 0 0 0 0 58 59 2 0 0 0 0 M END > LMFA07050277 > 7-methyl-3-oxooctanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooctanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} > C30H50N7O18P3S > 921.21 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3-keto-7-methyloctanoyl-CoA;3-keto-7-methyloctanoyl-coenzyme A;7-methyl-3-oxooctanoyl-coenzyme A;S-(7-methyl-3-oxooctanoyl)-coenzyme A > - > - > - > 15506 > - > - > - > - > - > 11966134 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMFA07050277 $$$$