LMFA07050248 LIPID_MAPS_STRUCTURE_DATABASE 68 70 0 0 0 0 999 V2000 14.6361 -14.0103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9687 -13.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3812 -14.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3012 -14.0103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5562 -14.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8661 -15.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8903 -18.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6332 -18.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 -18.4638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4615 -18.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 -18.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2043 -16.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4615 -17.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2043 -15.9888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7754 -15.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 -15.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9188 -14.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -13.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2043 -14.3387 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6167 -13.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 -14.7512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7752 -14.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6332 -14.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2832 -14.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9332 -14.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4582 -13.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4582 -15.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1082 -13.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1082 -15.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4582 -14.3387 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.1082 -14.3387 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.5166 -13.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0712 -15.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2462 -16.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8962 -16.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0712 -16.2874 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.0712 -17.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4207 -13.7554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0338 -14.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7563 -13.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7482 -13.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0338 -15.1324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5768 -13.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4628 -14.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7484 -15.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4628 -15.1323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1772 -13.8948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3477 -18.0513 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0621 -19.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0621 -18.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7767 -18.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4911 -18.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4911 -19.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2056 -18.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9201 -18.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6345 -18.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3490 -18.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0635 -18.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7780 -18.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4924 -18.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2069 -18.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2069 -19.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4924 -19.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7780 -19.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0635 -19.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3490 -19.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6345 -19.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9201 -19.2888 0.0000 C 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 52 1 0 0 0 0 52 54 1 0 0 0 0 52 53 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 M END > LMFA07050248 > 3-oxooctadecanoyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} > C39H68N7O18P3S > 1047.36 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > 3-Ketostearoyl-CoA;3-oxooctadecanoyl-coenzyme A;3-oxostearoyl-CoA;3-oxostearoyl-coenzyme A;beta-Ketostearoyl-CoA;beta-ketostearoyl-coenzyme A > C16216 > HMDB06498 > - > 50571 > - > - > SLM:000000487 > - > - > 22833664 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMFA07050248 $$$$